4-(2-methylphenyl)sulfanyl-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(2-methylphenyl)sulfanyl-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 3-(benzylamino)-4-(o-tolylsulfanyl)-5-sulfamoyl-benzoic acid CAS Name: 4-[(2-methylphenyl)thio]-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 3-(benzylamino)-4-(2-methylphenyl)sulfanyl-5-sulfamoylbenzoic acid Traditional Name: 3-(benzylamino)-4-(o-tolylthio)-5-sulfamoyl-benzoic acid Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1SC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4S2/c1-14-7-5-6-10-18(14)28-20-17(23-13-15-8-3-2-4-9-15)11-16(21(24)25)12-19(20)29(22,26)27/h2-12,23H,13H2,1H3,(H,24,25)(H2,22,26,27)