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

Systemtic Name: 2-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoranyl-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-[(1,2-dimethyl-4-imidazolyl)sulfonyl]-5-fluoro-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-2-methyl-indol-3-yl]acetic acid Formula: C16H16FN3O4S MolecularWeight: 365.379343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CN(C(=N3)C)C)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CN(C(=N3)C)C)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C16H16FN3O4S/c1-9-12(7-16(21)22)13-6-11(17)4-5-14(13)20(9)25(23,24)15-8-19(3)10(2)18-15/h4-6,8H,7H2,1-3H3,(H,21,22)