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

Systemtic Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[3-(4-methylphenyl)sulfonylsulfanylpyrrolidin-1-yl]ethanone Openeye Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[3-(p-tolylsulfonylsulfanyl)pyrrolidin-1-yl]ethanone CAS Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[3-[(4-methylphenyl)sulfonylthio]-1-pyrrolidinyl]ethanone IUPAC Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[3-(4-methylphenyl)sulfonylsulfanylpyrrolidin-1-yl]ethanone Traditional Name: 1-cyclopropyl-2-(2-fluorophenyl)-2-[3-(tosylthio)pyrrolidino]ethanone Formula: C22H24FNO3S2 MolecularWeight: 433.559263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SC2CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SC2CCN(C2)C(C3=CC=CC=C3F)C(=O)C4CC4

InChI

InChI=1S/C22H24FNO3S2/c1-15-6-10-18(11-7-15)29(26,27)28-17-12-13-24(14-17)21(22(25)16-8-9-16)19-4-2-3-5-20(19)23/h2-7,10-11,16-17,21H,8-9,12-14H2,1H3