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

Systemtic Name: 4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-pyrrolidin-2-yl]butanoic acid Openeye Name: 4-[5-(4-fluorophenyl)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]butanoic acid CAS Name: 4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]butanoic acid IUPAC Name: 4-[5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]butanoic acid Traditional Name: 4-[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(CCC2C3=CC=C(C=C3)F)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H24FNO4S/c1-15-5-12-19(13-6-15)28(26,27)23-18(3-2-4-21(24)25)11-14-20(23)16-7-9-17(22)10-8-16/h5-10,12-13,18,20H,2-4,11,14H2,1H3,(H,24,25)