(2E)-3-methylsulfonyl-2-(methylsulfonylmethylidene)-1-[3-(trifluoromethylsulfanyl)phenyl]azetidine

Systemtic Name: (2E)-3-methylsulfonyl-2-(methylsulfonylmethylidene)-1-[3-(trifluoromethylsulfanyl)phenyl]azetidine Openeye Name: (2E)-3-methylsulfonyl-2-(methylsulfonylmethylene)-1-[3-(trifluoromethylsulfanyl)phenyl]azetidine CAS Name: (2E)-3-methylsulfonyl-2-(methylsulfonylmethylidene)-1-[3-(trifluoromethylthio)phenyl]azetidine IUPAC Name: (2E)-3-methylsulfonyl-2-(methylsulfonylmethylidene)-1-[3-(trifluoromethylsulfanyl)phenyl]azetidine Traditional Name: (2E)-3-mesyl-2-(mesylmethylene)-1-[3-(trifluoromethylthio)phenyl]azetidine Formula: C13H14F3NO4S3 MolecularWeight: 401.44477

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C=C1C(CN1C2=CC(=CC=C2)SC(F)(F)F)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)/C=C/1\C(CN1C2=CC(=CC=C2)SC(F)(F)F)S(=O)(=O)C

InChI

InChI=1S/C13H14F3NO4S3/c1-23(18,19)8-11-12(24(2,20)21)7-17(11)9-4-3-5-10(6-9)22-13(14,15)16/h3-6,8,12H,7H2,1-2H3/b11-8+