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

Systemtic Name: ethyl 4-[(4-chlorophenyl)amino]-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoate Openeye Name: ethyl 3-(benzylamino)-4-(4-chloroanilino)-5-sulfamoyl-benzoate CAS Name: 4-(4-chloroanilino)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 3-(benzylamino)-4-(4-chloroanilino)-5-sulfamoylbenzoate Traditional Name: 3-(benzylamino)-4-(4-chloroanilino)-5-sulfamoyl-benzoic acid ethyl ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4S/c1-2-30-22(27)16-12-19(25-14-15-6-4-3-5-7-15)21(20(13-16)31(24,28)29)26-18-10-8-17(23)9-11-18/h3-13,25-26H,2,14H2,1H3,(H2,24,28,29)