methyl (2R)-4-(3-morpholin-4-ylsulfonylphenyl)carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(3-morpholin-4-ylsulfonylphenyl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(3-morpholinosulfonylbenzoyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(3-morpholin-4-ylsulfonylbenzoyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(3-morpholinosulfonylbenzoyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C17H22N2O6S2 MolecularWeight: 414.49638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H22N2O6S2/c1-24-17(21)15-12-18(7-10-26-15)16(20)13-3-2-4-14(11-13)27(22,23)19-5-8-25-9-6-19/h2-4,11,15H,5-10,12H2,1H3/t15-/m1/s1