2,2-bis(4-fluorophenyl)-2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanenitrile

Systemtic Name: 2,2-bis(4-fluorophenyl)-2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanenitrile Openeye Name: 2,2-bis(4-fluorophenyl)-2-[1-(p-tolylsulfonyl)pyrrolidin-3-yl]acetonitrile CAS Name: 2,2-bis(4-fluorophenyl)-2-[1-(4-methylphenyl)sulfonyl-3-pyrrolidinyl]acetonitrile IUPAC Name: 2,2-bis(4-fluorophenyl)-2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]acetonitrile Traditional Name: 2,2-bis(4-fluorophenyl)-2-(1-tosylpyrrolidin-3-yl)acetonitrile Formula: C25H22F2N2O2S MolecularWeight: 452.516186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)C(C#N)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)C(C#N)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H22F2N2O2S/c1-18-2-12-24(13-3-18)32(30,31)29-15-14-21(16-29)25(17-28,19-4-8-22(26)9-5-19)20-6-10-23(27)11-7-20/h2-13,21H,14-16H2,1H3