2-[5-fluoranyl-2-methyl-3-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2-methyl-3-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]indol-1-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-3-[[1-(p-tolylsulfonyl)pyrrol-2-yl]methyl]indol-1-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-3-[[1-(4-methylphenyl)sulfonyl-2-pyrrolyl]methyl]-1-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-3-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methyl]indol-1-yl]acetic acid Traditional Name: 2-[5-fluoro-2-methyl-3-[(1-tosylpyrrol-2-yl)methyl]indol-1-yl]acetic acid Formula: C23H21FN2O4S MolecularWeight: 440.487243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2CC3=C(N(C4=C3C=C(C=C4)F)CC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2CC3=C(N(C4=C3C=C(C=C4)F)CC(=O)O)C

InChI

InChI=1S/C23H21FN2O4S/c1-15-5-8-19(9-6-15)31(29,30)26-11-3-4-18(26)13-20-16(2)25(14-23(27)28)22-10-7-17(24)12-21(20)22/h3-12H,13-14H2,1-2H3,(H,27,28)