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WWL : Summary
Code
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WWL
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One-letter code
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X
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Molecule name
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5-(phenylsulfonyl)thiophene-2-sulfonamide
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Systematic names
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Formula
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C10 H9 N O4 S3
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Formal charge
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0
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Molecular weight
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303.378 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=S(=O)(c1sc(cc1)S(=O)(=O)N)c2ccccc2 |
SMILES
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CACTVS |
3.385 |
N[S](=O)(=O)c1sc(cc1)[S](=O)(=O)c2ccccc2 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
c1ccc(cc1)S(=O)(=O)c2ccc(s2)S(=O)(=O)N |
Canonical SMILES
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CACTVS |
3.385 |
N[S](=O)(=O)c1sc(cc1)[S](=O)(=O)c2ccccc2 |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
c1ccc(cc1)S(=O)(=O)c2ccc(s2)S(=O)(=O)N |
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IUPAC InChI | InChI=1S/C10H9NO4S3/c11-18(14,15)10-7-6-9(16-10)17(12,13)8-4-2-1-3-5-8/h1-7H,(H2,11,14,15) |
IUPAC InChI key | TZFKMKMXMWYTNS-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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27 (18 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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2013-07-10
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Last modified at
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2014-06-27
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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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