7-[4-(4-fluorophenyl)-5-methyl-1-methylsulfonyl-2-propan-2-yl-pyrrol-3-yl]-2,2-bis(oxidanyl)heptanoic acid

Systemtic Name: 7-[4-(4-fluorophenyl)-5-methyl-1-methylsulfonyl-2-propan-2-yl-pyrrol-3-yl]-2,2-bis(oxidanyl)heptanoic acid Openeye Name: 7-[4-(4-fluorophenyl)-2-isopropyl-5-methyl-1-methylsulfonyl-pyrrol-3-yl]-2,2-dihydroxy-heptanoic acid CAS Name: 7-[4-(4-fluorophenyl)-5-methyl-1-methylsulfonyl-2-propan-2-yl-3-pyrrolyl]-2,2-dihydroxyheptanoic acid IUPAC Name: 7-[4-(4-fluorophenyl)-5-methyl-1-methylsulfonyl-2-propan-2-ylpyrrol-3-yl]-2,2-dihydroxyheptanoic acid Traditional Name: 7-[4-(4-fluorophenyl)-2-isopropyl-1-mesyl-5-methyl-pyrrol-3-yl]-2,2-dihydroxy-enanthic acid Formula: C22H30FNO6S MolecularWeight: 455.540103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1S(=O)(=O)C)C(C)C)CCCCCC(C(=O)O)(O)O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C(=C(N1S(=O)(=O)C)C(C)C)CCCCCC(C(=O)O)(O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C22H30FNO6S/c1-14(2)20-18(8-6-5-7-13-22(27,28)21(25)26)19(15(3)24(20)31(4,29)30)16-9-11-17(23)12-10-16/h9-12,14,27-28H,5-8,13H2,1-4H3,(H,25,26)