4-[[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[2-oxidanylidene-2-[(4-sulfamoylphenyl)methylamino]ethyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]thio]methyl]benzoic acid IUPAC Name: 4-[[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[2-keto-2-[(4-sulfamoylbenzyl)amino]ethyl]thio]methyl]benzoic acid Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CSCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CSCC2=CC=C(C=C2)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C17H18N2O5S2/c18-26(23,24)15-7-3-12(4-8-15)9-19-16(20)11-25-10-13-1-5-14(6-2-13)17(21)22/h1-8H,9-11H2,(H,19,20)(H,21,22)(H2,18,23,24)