ethyl 3-[(phenylmethyl)amino]-4-piperidin-1-yl-5-sulfamoyl-benzoate

Systemtic Name: ethyl 3-[(phenylmethyl)amino]-4-piperidin-1-yl-5-sulfamoyl-benzoate Openeye Name: ethyl 3-(benzylamino)-4-(1-piperidyl)-5-sulfamoyl-benzoate CAS Name: 3-[(phenylmethyl)amino]-4-(1-piperidinyl)-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 3-(benzylamino)-4-piperidin-1-yl-5-sulfamoylbenzoate Traditional Name: 3-(benzylamino)-4-piperidino-5-sulfamoyl-benzoic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)N2CCCCC2)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C(=C1)S(=O)(=O)N)N2CCCCC2)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-2-28-21(25)17-13-18(23-15-16-9-5-3-6-10-16)20(19(14-17)29(22,26)27)24-11-7-4-8-12-24/h3,5-6,9-10,13-14,23H,2,4,7-8,11-12,15H2,1H3,(H2,22,26,27)