[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] (2R)-1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethyl] (2R)-1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-(5-methyl-2-thienyl)-2-oxo-ethyl] (2R)-1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: (2R)-1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-(5-methyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-methylthiophen-2-yl)-2-oxoethyl] (2R)-1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: (2R)-1-besylpipecolinic acid [2-keto-2-(5-methyl-2-thienyl)ethyl] ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC(=O)[C@H]2CCCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21NO5S2/c1-14-10-11-18(26-14)17(21)13-25-19(22)16-9-5-6-12-20(16)27(23,24)15-7-3-2-4-8-15/h2-4,7-8,10-11,16H,5-6,9,12-13H2,1H3/t16-/m1/s1