methyl (2R)-4-(3-piperidin-1-ylsulfonylphenyl)carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(3-piperidin-1-ylsulfonylphenyl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[3-(1-piperidylsulfonyl)benzoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(3-piperidin-1-ylsulfonylbenzoyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(3-piperidinosulfonylbenzoyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C18H24N2O5S2 MolecularWeight: 412.52356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H24N2O5S2/c1-25-18(22)16-13-19(10-11-26-16)17(21)14-6-5-7-15(12-14)27(23,24)20-8-3-2-4-9-20/h5-7,12,16H,2-4,8-11,13H2,1H3/t16-/m1/s1