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

Systemtic Name: 2-[1-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-5-fluoranyl-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-5-fluoro-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonyl]-5-fluoro-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonyl-5-fluoro-2-methyl-indol-3-yl]acetic acid Formula: C16H15ClFN3O4S MolecularWeight: 399.824403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=C(N(N=C3C)C)Cl)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=C(N(N=C3C)C)Cl)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C16H15ClFN3O4S/c1-8-15(16(17)20(3)19-8)26(24,25)21-9(2)11(7-14(22)23)12-6-10(18)4-5-13(12)21/h4-6H,7H2,1-3H3,(H,22,23)