1-methyl-3-methylsulfonyl-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)quinolin-2-one

Systemtic Name: 1-methyl-3-methylsulfonyl-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)quinolin-2-one Openeye Name: 1-methyl-3-methylsulfonyl-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinolin-2-one CAS Name: 1-methyl-3-methylsulfonyl-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]-2-quinolinone IUPAC Name: 1-methyl-3-methylsulfonyl-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinolin-2-one Traditional Name: 3-mesyl-1-methyl-4-(4-nicotinoylpiperazino)carbostyril Formula: C21H22N4O4S MolecularWeight: 426.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C(C1=O)S(=O)(=O)C)N3CCN(CC3)C(=O)C4=CN=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=C(C1=O)S(=O)(=O)C)N3CCN(CC3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H22N4O4S/c1-23-17-8-4-3-7-16(17)18(19(21(23)27)30(2,28)29)24-10-12-25(13-11-24)20(26)15-6-5-9-22-14-15/h3-9,14H,10-13H2,1-2H3