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

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-1-(p-tolylsulfonyl)indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]acetic acid Traditional Name: 2-(5-fluoro-2-methyl-1-tosyl-indol-3-yl)acetic acid Formula: C18H16FNO4S MolecularWeight: 361.387343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FNO4S/c1-11-3-6-14(7-4-11)25(23,24)20-12(2)15(10-18(21)22)16-9-13(19)5-8-17(16)20/h3-9H,10H2,1-2H3,(H,21,22)