[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C20H23NO5S2 MolecularWeight: 421.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H23NO5S2/c1-14-5-7-16(8-6-14)19(22)15(2)26-20(23)17-9-11-21(12-10-17)28(24,25)18-4-3-13-27-18/h3-8,13,15,17H,9-12H2,1-2H3/t15-/m0/s1