[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H32N2O5S/c1-16-5-4-10-23(14-16)21(25)15-29-22(26)19-8-11-24(12-9-19)30(27,28)20-7-6-17(2)18(3)13-20/h6-7,13,16,19H,4-5,8-12,14-15H2,1-3H3/t16-/m0/s1