ethyl 4-(naphthalen-2-ylamino)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoate

Systemtic Name: ethyl 4-(naphthalen-2-ylamino)-3-[(phenylmethyl)amino]-5-sulfamoyl-benzoate Openeye Name: ethyl 3-(benzylamino)-4-(2-naphthylamino)-5-sulfamoyl-benzoate CAS Name: 4-(2-naphthalenylamino)-3-[(phenylmethyl)amino]-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 3-(benzylamino)-4-(naphthalen-2-ylamino)-5-sulfamoylbenzoate Traditional Name: 3-(benzylamino)-4-(2-naphthylamino)-5-sulfamoyl-benzoic acid ethyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)NC2=CC3=CC=CC=C3C=C2)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)NC2=CC3=CC=CC=C3C=C2)NCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O4S/c1-2-33-26(30)21-15-23(28-17-18-8-4-3-5-9-18)25(24(16-21)34(27,31)32)29-22-13-12-19-10-6-7-11-20(19)14-22/h3-16,28-29H,2,17H2,1H3,(H2,27,31,32)