(E)-3-[3-(6-methylquinolin-8-yl)phenyl]-2-(4-methylsulfonylphenyl)prop-2-enoic acid

Systemtic Name: (E)-3-[3-(6-methylquinolin-8-yl)phenyl]-2-(4-methylsulfonylphenyl)prop-2-enoic acid Openeye Name: (E)-3-[3-(6-methyl-8-quinolyl)phenyl]-2-(4-methylsulfonylphenyl)prop-2-enoic acid CAS Name: (E)-3-[3-(6-methyl-8-quinolinyl)phenyl]-2-(4-methylsulfonylphenyl)-2-propenoic acid IUPAC Name: (E)-3-[3-(6-methylquinolin-8-yl)phenyl]-2-(4-methylsulfonylphenyl)prop-2-enoic acid Traditional Name: (E)-2-(4-mesylphenyl)-3-[3-(6-methyl-8-quinolyl)phenyl]acrylic acid Formula: C26H21NO4S MolecularWeight: 443.51424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C=C(C4=CC=C(C=C4)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)/C=C(\C4=CC=C(C=C4)S(=O)(=O)C)/C(=O)O

InChI

InChI=1S/C26H21NO4S/c1-17-13-21-7-4-12-27-25(21)23(14-17)20-6-3-5-18(15-20)16-24(26(28)29)19-8-10-22(11-9-19)32(2,30)31/h3-16H,1-2H3,(H,28,29)/b24-16+