2-[5-fluoranyl-2-methyl-3-[[1-(phenylsulfonyl)pyrrol-2-yl]methyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2-methyl-3-[[1-(phenylsulfonyl)pyrrol-2-yl]methyl]indol-1-yl]ethanoic acid Openeye Name: 2-[3-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-5-fluoro-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[3-[[1-(benzenesulfonyl)-2-pyrrolyl]methyl]-5-fluoro-2-methyl-1-indolyl]acetic acid IUPAC Name: 2-[3-[[1-(benzenesulfonyl)pyrrol-2-yl]methyl]-5-fluoro-2-methylindol-1-yl]acetic acid Traditional Name: 2-[3-[(1-besylpyrrol-2-yl)methyl]-5-fluoro-2-methyl-indol-1-yl]acetic acid Formula: C22H19FN2O4S MolecularWeight: 426.460663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)CC3=CC=CN3S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)CC3=CC=CN3S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19FN2O4S/c1-15-19(20-12-16(23)9-10-21(20)24(15)14-22(26)27)13-17-6-5-11-25(17)30(28,29)18-7-3-2-4-8-18/h2-12H,13-14H2,1H3,(H,26,27)