ethyl 4-[(2,4-dimethylphenyl)amino]-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoate

Systemtic Name: ethyl 4-[(2,4-dimethylphenyl)amino]-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoate Openeye Name: ethyl 3-(benzylamino)-4-(2,4-dimethylanilino)-5-sulfamoyl-benzoate CAS Name: 4-(2,4-dimethylanilino)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 3-(benzylamino)-4-(2,4-dimethylanilino)-5-sulfamoylbenzoate Traditional Name: 3-(benzylamino)-4-(2,4-dimethylanilino)-5-sulfamoyl-benzoic acid ethyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4S/c1-4-31-24(28)19-13-21(26-15-18-8-6-5-7-9-18)23(22(14-19)32(25,29)30)27-20-11-10-16(2)12-17(20)3/h5-14,26-27H,4,15H2,1-3H3,(H2,25,29,30)