4-[(2,4-dimethylphenyl)amino]-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[(2,4-dimethylphenyl)amino]-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 3-(benzylamino)-4-(2,4-dimethylanilino)-5-sulfamoyl-benzoic acid CAS Name: 4-(2,4-dimethylanilino)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid IUPAC Name: 3-(benzylamino)-4-(2,4-dimethylanilino)-5-sulfamoylbenzoic acid Traditional Name: 3-(benzylamino)-4-(2,4-dimethylanilino)-5-sulfamoyl-benzoic acid Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O4S/c1-14-8-9-18(15(2)10-14)25-21-19(24-13-16-6-4-3-5-7-16)11-17(22(26)27)12-20(21)30(23,28)29/h3-12,24-25H,13H2,1-2H3,(H,26,27)(H2,23,28,29)