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

Systemtic Name: [1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl] 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid [2-keto-1-methyl-2-(3-sulfamoylanilino)ethyl] ester Formula: C22H26N4O7S MolecularWeight: 490.52944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O7S/c1-14-5-4-10-25(13-14)19-9-8-16(11-20(19)26(29)30)22(28)33-15(2)21(27)24-17-6-3-7-18(12-17)34(23,31)32/h3,6-9,11-12,14-15H,4-5,10,13H2,1-2H3,(H,24,27)(H2,23,31,32)