1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-2-(4-methylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-piperidyl]-2-[(4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidinyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-2-(4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidino]-2-[(4-methyl-2-quinolyl)thio]ethanone Formula: C26H26N2O4S MolecularWeight: 462.56064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H26N2O4S/c1-17-14-24(27-21-5-3-2-4-20(17)21)33-16-25(29)28-10-8-18(9-11-28)26(30)19-6-7-22-23(15-19)32-13-12-31-22/h2-7,14-15,18H,8-13,16H2,1H3