2-[5-fluoranyl-2-methyl-1-[4-[(6-methylpyridin-2-yl)amino]phenyl]sulfonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-[4-[(6-methylpyridin-2-yl)amino]phenyl]sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-1-[4-[(6-methyl-2-pyridyl)amino]phenyl]sulfonyl-indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-1-[4-[(6-methyl-2-pyridinyl)amino]phenyl]sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-1-[4-[(6-methylpyridin-2-yl)amino]phenyl]sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-2-methyl-1-[4-[(6-methyl-2-pyridyl)amino]phenyl]sulfonyl-indol-3-yl]acetic acid Formula: C23H20FN3O4S MolecularWeight: 453.486003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC2=CC=C(C=C2)S(=O)(=O)N3C(=C(C4=C3C=CC(=C4)F)CC(=O)O)C

Isomeric SMILES

CC1=NC(=CC=C1)NC2=CC=C(C=C2)S(=O)(=O)N3C(=C(C4=C3C=CC(=C4)F)CC(=O)O)C

InChI

InChI=1S/C23H20FN3O4S/c1-14-4-3-5-22(25-14)26-17-7-9-18(10-8-17)32(30,31)27-15(2)19(13-23(28)29)20-12-16(24)6-11-21(20)27/h3-12H,13H2,1-2H3,(H,25,26)(H,28,29)