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SAB : Summary
Code ![](/pdbe/static/images/help.png)
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SAB
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C11 H17 N3 O3 S
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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271.336 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=S(=O)(N)c1ccc(C(=O)NCCCCN)cc1 |
SMILES
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CACTVS |
3.341 |
NCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1C(=O)NCCCCN)S(=O)(=O)N |
Canonical SMILES
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CACTVS |
3.341 |
NCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1cc(ccc1C(=O)NCCCCN)S(=O)(=O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C11H17N3O3S/c12-7-1-2-8-14-11(15)9-3-5-10(6-4-9)18(13,16)17/h3-6H,1-2,7-8,12H2,(H,14,15)(H2,13,16,17) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ZDYFRIZTYRFPJC-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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35 (18 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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1999-07-08
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Last modified at ![](/pdbe/static/images/help.png)
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2011-06-04
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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