2-[5-fluoranyl-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-1-[[5-(2-pyridyl)-2-thienyl]sulfonyl]indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-1-[[5-(2-pyridinyl)-2-thiophenyl]sulfonyl]-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-2-methyl-1-[[5-(2-pyridyl)-2-thienyl]sulfonyl]indol-3-yl]acetic acid Formula: C20H15FN2O4S2 MolecularWeight: 430.472503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(S3)C4=CC=CC=N4)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=C(S3)C4=CC=CC=N4)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C20H15FN2O4S2/c1-12-14(11-19(24)25)15-10-13(21)5-6-17(15)23(12)29(26,27)20-8-7-18(28-20)16-4-2-3-9-22-16/h2-10H,11H2,1H3,(H,24,25)