ethyl 4-[(3-methylphenyl)amino]-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoate

Systemtic Name: ethyl 4-[(3-methylphenyl)amino]-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoate Openeye Name: ethyl 3-(benzylamino)-4-(3-methylanilino)-5-sulfamoyl-benzoate CAS Name: 4-(3-methylanilino)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 3-(benzylamino)-4-(3-methylanilino)-5-sulfamoylbenzoate Traditional Name: 3-(benzylamino)-4-(m-toluidino)-5-sulfamoyl-benzoic acid ethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)NC2=CC=CC(=C2)C)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)NC2=CC=CC(=C2)C)NCC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S/c1-3-30-23(27)18-13-20(25-15-17-9-5-4-6-10-17)22(21(14-18)31(24,28)29)26-19-11-7-8-16(2)12-19/h4-14,25-26H,3,15H2,1-2H3,(H2,24,28,29)