4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]butanenitrile

Systemtic Name: 4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]butanenitrile Openeye Name: 4-[5-(4-fluorophenyl)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]butanenitrile CAS Name: 4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]butanenitrile IUPAC Name: 4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butanenitrile Traditional Name: 4-[5-(4-fluorophenyl)-1-tosyl-pyrrolidin-2-yl]butyronitrile Formula: C21H23FN2O2S MolecularWeight: 386.482923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C3=CC=C(C=C3)F)CCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C3=CC=C(C=C3)F)CCCC#N

InChI

InChI=1S/C21H23FN2O2S/c1-16-5-12-20(13-6-16)27(25,26)24-19(4-2-3-15-23)11-14-21(24)17-7-9-18(22)10-8-17/h5-10,12-13,19,21H,2-4,11,14H2,1H3