methyl (2R)-4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(4-pyrrolidin-1-ylsulfonylphenyl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(4-pyrrolidinosulfonylbenzoyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C17H22N2O5S2 MolecularWeight: 398.49698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H22N2O5S2/c1-24-17(21)15-12-18(10-11-25-15)16(20)13-4-6-14(7-5-13)26(22,23)19-8-2-3-9-19/h4-7,15H,2-3,8-12H2,1H3/t15-/m1/s1