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

Systemtic Name: 5-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]pentanoic acid Openeye Name: 5-[5-(4-fluorophenyl)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]pentanoic acid CAS Name: 5-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]pentanoic acid IUPAC Name: 5-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pentanoic acid Traditional Name: 5-[5-(4-fluorophenyl)-1-tosyl-pyrrolidin-2-yl]valeric acid Formula: C22H26FNO4S MolecularWeight: 419.509543

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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)CCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C3=CC=C(C=C3)F)CCCCC(=O)O

InChI

InChI=1S/C22H26FNO4S/c1-16-6-13-20(14-7-16)29(27,28)24-19(4-2-3-5-22(25)26)12-15-21(24)17-8-10-18(23)11-9-17/h6-11,13-14,19,21H,2-5,12,15H2,1H3,(H,25,26)