5-[(4-oxidanyl-4-oxidanylidene-butyl)sulfamoyl]-2-[(phenylmethyl)amino]benzoic acid

Systemtic Name: 5-[(4-oxidanyl-4-oxidanylidene-butyl)sulfamoyl]-2-[(phenylmethyl)amino]benzoic acid Openeye Name: 2-(benzylamino)-5-[(4-hydroxy-4-oxo-butyl)sulfamoyl]benzoic acid CAS Name: 5-[(4-hydroxy-4-oxobutyl)sulfamoyl]-2-[(phenylmethyl)amino]benzoic acid IUPAC Name: 2-(benzylamino)-5-[(4-hydroxy-4-oxobutyl)sulfamoyl]benzoic acid Traditional Name: 2-(benzylamino)-5-[(4-hydroxy-4-keto-butyl)sulfamoyl]benzoic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)NCCCC(=O)O)C(=O)O

InChI

InChI=1S/C18H20N2O6S/c21-17(22)7-4-10-20-27(25,26)14-8-9-16(15(11-14)18(23)24)19-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,19-20H,4,7,10,12H2,(H,21,22)(H,23,24)