[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H24N2O5S/c1-13-5-3-4-6-15(13)11-18-16(20)12-24-17(21)14-7-9-19(10-8-14)25(2,22)23/h3-6,14H,7-12H2,1-2H3,(H,18,20)