methyl (2S)-4-(4-methylsulfonylphenyl)carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2S)-4-(4-methylsulfonylphenyl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2S)-4-(4-methylsulfonylbenzoyl)thiomorpholine-2-carboxylate CAS Name: (2S)-4-[(4-methylsulfonylphenyl)-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(4-methylsulfonylbenzoyl)thiomorpholine-2-carboxylate Traditional Name: (2S)-4-(4-mesylbenzoyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C14H17NO5S2 MolecularWeight: 343.41848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S2/c1-20-14(17)12-9-15(7-8-21-12)13(16)10-3-5-11(6-4-10)22(2,18)19/h3-6,12H,7-9H2,1-2H3/t12-/m0/s1