methyl (2R)-4-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(3S)-1-(2-thienylsulfonyl)piperidine-3-carbonyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[oxo-[(3S)-1-thiophen-2-ylsulfonyl-3-piperidinyl]methyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(3S)-1-(2-thienylsulfonyl)nipecotoyl]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)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H22N2O5S3/c1-23-16(20)13-11-17(7-9-24-13)15(19)12-4-2-6-18(10-12)26(21,22)14-5-3-8-25-14/h3,5,8,12-13H,2,4,6-7,9-11H2,1H3/t12-,13+/m0/s1