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

Systemtic Name: 2-[1-(3-cyano-4-methyl-phenyl)sulfonyl-5-fluoranyl-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(3-cyano-4-methyl-phenyl)sulfonyl-5-fluoro-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-(3-cyano-4-methylphenyl)sulfonyl-5-fluoro-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(3-cyano-4-methylphenyl)sulfonyl-5-fluoro-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-(3-cyano-4-methyl-phenyl)sulfonyl-5-fluoro-2-methyl-indol-3-yl]acetic acid Formula: C19H15FN2O4S MolecularWeight: 386.396803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2C(=C(C3=C2C=CC(=C3)F)CC(=O)O)C)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2C(=C(C3=C2C=CC(=C3)F)CC(=O)O)C)C#N

InChI

InChI=1S/C19H15FN2O4S/c1-11-3-5-15(7-13(11)10-21)27(25,26)22-12(2)16(9-19(23)24)17-8-14(20)4-6-18(17)22/h3-8H,9H2,1-2H3,(H,23,24)