[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-sulfamoylanilino)ethyl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-keto-2-(4-sulfamoylanilino)ethyl] ester Formula: C21H24N4O7S MolecularWeight: 476.50286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O7S/c1-14-3-2-10-24(12-14)18-9-4-15(11-19(18)25(28)29)21(27)32-13-20(26)23-16-5-7-17(8-6-16)33(22,30)31/h4-9,11,14H,2-3,10,12-13H2,1H3,(H,23,26)(H2,22,30,31)