methyl (2R)-4-[4-chloranyl-2-(trifluoromethyl)phenyl]sulfonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[4-chloranyl-2-(trifluoromethyl)phenyl]sulfonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylthiomorpholine-2-carboxylate CAS Name: (2R)-4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylthiomorpholine-2-carboxylate Traditional Name: (2R)-4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylthiomorpholine-2-carboxylic acid methyl ester Formula: C13H13ClF3NO4S2 MolecularWeight: 403.82483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)S(=O)(=O)C2=C(C=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClF3NO4S2/c1-22-12(19)10-7-18(4-5-23-10)24(20,21)11-3-2-8(14)6-9(11)13(15,16)17/h2-3,6,10H,4-5,7H2,1H3/t10-/m1/s1