methyl (2R)-4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[1-(2-thienylsulfonyl)piperidine-4-carbonyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[1-(2-thienylsulfonyl)isonipecotoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H22N2O5S3 MolecularWeight: 418.55128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H22N2O5S3/c1-23-16(20)13-11-17(8-10-24-13)15(19)12-4-6-18(7-5-12)26(21,22)14-3-2-9-25-14/h2-3,9,12-13H,4-8,10-11H2,1H3/t13-/m1/s1