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

Systemtic Name: ethyl 4-[(4-ethoxycarbonylphenyl)amino]-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoate Openeye Name: ethyl 3-(benzylamino)-4-(4-ethoxycarbonylanilino)-5-sulfamoyl-benzoate CAS Name: 4-(4-ethoxycarbonylanilino)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 3-(benzylamino)-4-(4-ethoxycarbonylanilino)-5-sulfamoylbenzoate Traditional Name: 3-(benzylamino)-4-(4-carbethoxyanilino)-5-sulfamoyl-benzoic acid ethyl ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O6S/c1-3-33-24(29)18-10-12-20(13-11-18)28-23-21(27-16-17-8-6-5-7-9-17)14-19(25(30)34-4-2)15-22(23)35(26,31)32/h5-15,27-28H,3-4,16H2,1-2H3,(H2,26,31,32)