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N7D : Summary
Code
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N7D
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One-letter code
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X
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Molecule name
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3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide
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Systematic names
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Formula
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C11 H17 N3 O4 S
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Formal charge
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0
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Molecular weight
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287.335 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
OCCCCNC(Nc1cc(ccc1)S(=O)(=O)N)=O |
SMILES
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CACTVS |
3.385 |
N[S](=O)(=O)c1cccc(NC(=O)NCCCCO)c1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCCCO |
Canonical SMILES
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CACTVS |
3.385 |
N[S](=O)(=O)c1cccc(NC(=O)NCCCCO)c1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(cc(c1)S(=O)(=O)N)NC(=O)NCCCCO |
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IUPAC InChI | InChI=1S/C11H17N3O4S/c12-19(17,18)10-5-3-4-9(8-10)14-11(16)13-6-1-2-7-15/h3-5,8,15H,1-2,6-7H2,(H2,12,17,18)(H2,13,14,16) |
IUPAC InChI key | VHNLDERZDZTERH-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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36 (19 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2019-05-06
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Last modified at
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2020-05-01
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Status
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Released
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Obsoleted
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Not Assigned
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