3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-methyl-6-piperidin-1-ylsulfonyl-quinolin-4-one

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-methyl-6-piperidin-1-ylsulfonyl-quinolin-4-one Openeye Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6-(1-piperidylsulfonyl)quinolin-4-one CAS Name: 3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-methyl-6-(1-piperidinylsulfonyl)-4-quinolinone IUPAC Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6-piperidin-1-ylsulfonylquinolin-4-one Traditional Name: 3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-6-piperidinosulfonyl-4-quinolone Formula: C25H27N3O4S MolecularWeight: 465.56458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)S(=O)(=O)N3CCCCC3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H27N3O4S/c1-26-17-22(25(30)27-14-11-18-7-3-4-8-19(18)16-27)24(29)21-15-20(9-10-23(21)26)33(31,32)28-12-5-2-6-13-28/h3-4,7-10,15,17H,2,5-6,11-14,16H2,1H3