methyl (2R)-4-[1-(4-chlorophenyl)carbonylpiperidin-4-yl]carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[1-(4-chlorophenyl)carbonylpiperidin-4-yl]carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[[1-[(4-chlorophenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[1-(4-chlorobenzoyl)isonipecotoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C19H23ClN2O4S MolecularWeight: 410.91492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H23ClN2O4S/c1-26-19(25)16-12-22(10-11-27-16)18(24)14-6-8-21(9-7-14)17(23)13-2-4-15(20)5-3-13/h2-5,14,16H,6-12H2,1H3/t16-/m1/s1