1-(4-fluorophenyl)-3-[4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonyl-pyrrolidin-2-yl]propan-1-one

Systemtic Name: 1-(4-fluorophenyl)-3-[4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonyl-pyrrolidin-2-yl]propan-1-one Openeye Name: 1-(4-fluorophenyl)-3-[4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonyl-pyrrolidin-2-yl]propan-1-one CAS Name: 1-(4-fluorophenyl)-3-[4-[(4-methoxyphenyl)methylthio]-1-methylsulfonyl-2-pyrrolidinyl]-1-propanone IUPAC Name: 1-(4-fluorophenyl)-3-[4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonylpyrrolidin-2-yl]propan-1-one Traditional Name: 1-(4-fluorophenyl)-3-[1-mesyl-4-(p-anisylthio)pyrrolidin-2-yl]propan-1-one Formula: C22H26FNO4S2 MolecularWeight: 451.574543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(N(C2)S(=O)(=O)C)CCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)S(=O)(=O)C)CCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FNO4S2/c1-28-20-10-3-16(4-11-20)15-29-21-13-19(24(14-21)30(2,26)27)9-12-22(25)17-5-7-18(23)8-6-17/h3-8,10-11,19,21H,9,12-15H2,1-2H3