[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C15H21N3O6S MolecularWeight: 371.40874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C15H21N3O6S/c1-17-7-3-4-12(17)14(20)16-13(19)10-24-15(21)11-5-8-18(9-6-11)25(2,22)23/h3-4,7,11H,5-6,8-10H2,1-2H3,(H,16,19,20)