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

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-[4-[(3-methylphenyl)amino]phenyl]sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-1-[4-(3-methylanilino)phenyl]sulfonyl-indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-1-[4-(3-methylanilino)phenyl]sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-1-[4-(3-methylanilino)phenyl]sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-2-methyl-1-[4-(m-toluidino)phenyl]sulfonyl-indol-3-yl]acetic acid Formula: C24H21FN2O4S MolecularWeight: 452.497943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21FN2O4S/c1-15-4-3-5-19(12-15)26-18-7-9-20(10-8-18)32(30,31)27-16(2)21(14-24(28)29)22-13-17(25)6-11-23(22)27/h3-13,26H,14H2,1-2H3,(H,28,29)