[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C17H25N3O7S2 MolecularWeight: 447.5263

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C17H25N3O7S2/c1-28(23,24)20-10-7-14(8-11-20)17(22)27-12-16(21)19-9-6-13-2-4-15(5-3-13)29(18,25)26/h2-5,14H,6-12H2,1H3,(H,19,21)(H2,18,25,26)