3-[(4-oxidanyl-4-oxidanylidene-butyl)amino]-4-phenoxy-5-sulfamoyl-benzoic acid

Systemtic Name: 3-[(4-oxidanyl-4-oxidanylidene-butyl)amino]-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: 3-[(4-hydroxy-4-oxo-butyl)amino]-4-phenoxy-5-sulfamoyl-benzoic acid CAS Name: 3-[(4-hydroxy-4-oxobutyl)amino]-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: 3-[(4-hydroxy-4-oxobutyl)amino]-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: 3-[(4-hydroxy-4-keto-butyl)amino]-4-phenoxy-5-sulfamoyl-benzoic acid Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCCCC(=O)O

InChI

InChI=1S/C17H18N2O7S/c18-27(24,25)14-10-11(17(22)23)9-13(19-8-4-7-15(20)21)16(14)26-12-5-2-1-3-6-12/h1-3,5-6,9-10,19H,4,7-8H2,(H,20,21)(H,22,23)(H2,18,24,25)