3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]pentanoic acid

Systemtic Name: 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]pentanoic acid Openeye Name: 3-[5-(4-fluorophenyl)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]pentanoic acid CAS Name: 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]pentanoic acid IUPAC Name: 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pentanoic acid Traditional Name: 3-[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:

CCC(CC(=O)O)C1CCC(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCC(CC(=O)O)C1CCC(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FNO4S/c1-3-16(14-22(25)26)20-12-13-21(17-6-8-18(23)9-7-17)24(20)29(27,28)19-10-4-15(2)5-11-19/h4-11,16,20-21H,3,12-14H2,1-2H3,(H,25,26)