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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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