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

Systemtic Name: 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]butanoic acid Openeye Name: 3-[5-(4-fluorophenyl)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]butanoic acid CAS Name: 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]butanoic acid IUPAC Name: 3-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butanoic acid Traditional Name: 3-[5-(4-fluorophenyl)-1-tosyl-pyrrolidin-2-yl]butyric acid Formula: C21H24FNO4S MolecularWeight: 405.482963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C(C)CC(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C(C)CC(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FNO4S/c1-14-3-9-18(10-4-14)28(26,27)23-19(15(2)13-21(24)25)11-12-20(23)16-5-7-17(22)8-6-16/h3-10,15,19-20H,11-13H2,1-2H3,(H,24,25)