[4-(4-fluorophenyl)-5-methyl-1-methylsulfonyl-2-propan-2-yl-pyrrol-3-yl] 2,2-bis(oxidanyl)hept-6-enoate

Systemtic Name: [4-(4-fluorophenyl)-5-methyl-1-methylsulfonyl-2-propan-2-yl-pyrrol-3-yl] 2,2-bis(oxidanyl)hept-6-enoate Openeye Name: [4-(4-fluorophenyl)-2-isopropyl-5-methyl-1-methylsulfonyl-pyrrol-3-yl] 2,2-dihydroxyhept-6-enoate CAS Name: 2,2-dihydroxy-6-heptenoic acid [4-(4-fluorophenyl)-5-methyl-1-methylsulfonyl-2-propan-2-yl-3-pyrrolyl] ester IUPAC Name: [4-(4-fluorophenyl)-5-methyl-1-methylsulfonyl-2-propan-2-ylpyrrol-3-yl] 2,2-dihydroxyhept-6-enoate Traditional Name: 2,2-dihydroxyhept-6-enoic acid [4-(4-fluorophenyl)-2-isopropyl-1-mesyl-5-methyl-pyrrol-3-yl] ester Formula: C22H28FNO6S MolecularWeight: 453.524223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1S(=O)(=O)C)C(C)C)OC(=O)C(CCCC=C)(O)O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C(=C(N1S(=O)(=O)C)C(C)C)OC(=O)C(CCCC=C)(O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C22H28FNO6S/c1-6-7-8-13-22(26,27)21(25)30-20-18(16-9-11-17(23)12-10-16)15(4)24(31(5,28)29)19(20)14(2)3/h6,9-12,14,26-27H,1,7-8,13H2,2-5H3