(E)-6-[2-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-pyrrolidin-3-yl]hex-5-enoic acid

Systemtic Name: (E)-6-[2-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-pyrrolidin-3-yl]hex-5-enoic acid Openeye Name: (E)-6-[2-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-pyrrolidin-3-yl]hex-5-enoic acid CAS Name: (E)-6-[2-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-3-pyrrolidinyl]-5-hexenoic acid IUPAC Name: (E)-6-[2-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]hex-5-enoic acid Traditional Name: (E)-6-[2-(4-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-pyrrolidin-3-yl]hex-5-enoic acid Formula: C22H23ClFNO4S MolecularWeight: 451.938723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1C=CCCCC(=O)O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(C(C1/C=C/CCCC(=O)O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23ClFNO4S/c23-18-8-6-17(7-9-18)22-16(4-2-1-3-5-21(26)27)14-15-25(22)30(28,29)20-12-10-19(24)11-13-20/h2,4,6-13,16,22H,1,3,5,14-15H2,(H,26,27)/b4-2+