3-[[3,5-bis(trifluoromethyl)phenyl]-methylsulfonyl-methylidene]-1-(phenylmethyl)azetidine

Systemtic Name: 3-[[3,5-bis(trifluoromethyl)phenyl]-methylsulfonyl-methylidene]-1-(phenylmethyl)azetidine Openeye Name: 1-benzyl-3-[[3,5-bis(trifluoromethyl)phenyl]-methylsulfonyl-methylene]azetidine CAS Name: 3-[[3,5-bis(trifluoromethyl)phenyl]-methylsulfonylmethylidene]-1-(phenylmethyl)azetidine IUPAC Name: 1-benzyl-3-[[3,5-bis(trifluoromethyl)phenyl]-methylsulfonylmethylidene]azetidine Traditional Name: 1-benzyl-3-[[3,5-bis(trifluoromethyl)phenyl]-mesyl-methylene]azetidine Formula: C20H17F6NO2S MolecularWeight: 449.409899

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(=C1CN(C1)CC2=CC=CC=C2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C(=C1CN(C1)CC2=CC=CC=C2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H17F6NO2S/c1-30(28,29)18(15-11-27(12-15)10-13-5-3-2-4-6-13)14-7-16(19(21,22)23)9-17(8-14)20(24,25)26/h2-9H,10-12H2,1H3