2-[5-fluoranyl-2-methyl-1-(4-pyrazol-1-ylphenyl)sulfonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-(4-pyrazol-1-ylphenyl)sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-1-(4-pyrazol-1-ylphenyl)sulfonyl-indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-1-[4-(1-pyrazolyl)phenyl]sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-1-(4-pyrazol-1-ylphenyl)sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-2-methyl-1-(4-pyrazol-1-ylphenyl)sulfonyl-indol-3-yl]acetic acid Formula: C20H16FN3O4S MolecularWeight: 413.422143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)N4C=CC=N4)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(C=C3)N4C=CC=N4)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C20H16FN3O4S/c1-13-17(12-20(25)26)18-11-14(21)3-8-19(18)24(13)29(27,28)16-6-4-15(5-7-16)23-10-2-9-22-23/h2-11H,12H2,1H3,(H,25,26)