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

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C20H22N4O7S MolecularWeight: 462.47628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O7S/c21-32(29,30)16-6-4-5-15(12-16)22-19(25)13-31-20(26)14-7-8-17(18(11-14)24(27)28)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10,13H2,(H,22,25)(H2,21,29,30)