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

Systemtic Name: ethyl 4-[(3-methoxyphenyl)amino]-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoate Openeye Name: ethyl 3-(benzylamino)-4-(3-methoxyanilino)-5-sulfamoyl-benzoate CAS Name: 4-(3-methoxyanilino)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 3-(benzylamino)-4-(3-methoxyanilino)-5-sulfamoylbenzoate Traditional Name: 3-(benzylamino)-4-(m-anisidino)-5-sulfamoyl-benzoic acid ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S/c1-3-31-23(27)17-12-20(25-15-16-8-5-4-6-9-16)22(21(13-17)32(24,28)29)26-18-10-7-11-19(14-18)30-2/h4-14,25-26H,3,15H2,1-2H3,(H2,24,28,29)