[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C16H23N3O7S2 MolecularWeight: 433.49972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H23N3O7S2/c1-11(15(20)18-13-3-5-14(6-4-13)28(17,24)25)26-16(21)12-7-9-19(10-8-12)27(2,22)23/h3-6,11-12H,7-10H2,1-2H3,(H,18,20)(H2,17,24,25)