1-cyclopropyl-2-(2-fluorophenyl)-2-[3-(4-methylphenyl)sulfonylsulfanylazetidin-1-yl]ethanone

Systemtic Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[3-(4-methylphenyl)sulfonylsulfanylazetidin-1-yl]ethanone Openeye Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[3-(p-tolylsulfonylsulfanyl)azetidin-1-yl]ethanone CAS Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[3-[(4-methylphenyl)sulfonylthio]-1-azetidinyl]ethanone IUPAC Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[3-(4-methylphenyl)sulfonylsulfanylazetidin-1-yl]ethanone Traditional Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[3-(tosylthio)azetidin-1-yl]ethanone Formula: C21H22FNO3S2 MolecularWeight: 419.532683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC2CN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2CN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4

InChI

InChI=1S/C21H22FNO3S2/c1-14-6-10-17(11-7-14)28(25,26)27-16-12-23(13-16)20(21(24)15-8-9-15)18-4-2-3-5-19(18)22/h2-7,10-11,15-16,20H,8-9,12-13H2,1H3