4-[(4-acetamidophenyl)amino]-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[(4-acetamidophenyl)amino]-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-acetamidoanilino)-3-(benzylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-(4-acetamidoanilino)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-acetamidoanilino)-3-(benzylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-(4-acetamidoanilino)-3-(benzylamino)-5-sulfamoyl-benzoic acid Formula: C22H22N4O5S MolecularWeight: 454.49888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O5S/c1-14(27)25-17-7-9-18(10-8-17)26-21-19(24-13-15-5-3-2-4-6-15)11-16(22(28)29)12-20(21)32(23,30)31/h2-12,24,26H,13H2,1H3,(H,25,27)(H,28,29)(H2,23,30,31)