4-(8-methylsulfonylquinolin-5-yl)carbonyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-(8-methylsulfonylquinolin-5-yl)carbonyl-1,2-dihydropyrazol-3-one Openeye Name: 4-(8-methylsulfonylquinoline-5-carbonyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[(8-methylsulfonyl-5-quinolinyl)-oxomethyl]-1,2-dihydropyrazol-3-one IUPAC Name: 4-(8-methylsulfonylquinoline-5-carbonyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-(8-mesylquinoline-5-carbonyl)-3-pyrazolin-3-one Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C(=C(C=C1)C(=O)C3=CNNC3=O)C=CC=N2

Isomeric SMILES

CS(=O)(=O)C1=C2C(=C(C=C1)C(=O)C3=CNNC3=O)C=CC=N2

InChI

InChI=1S/C14H11N3O4S/c1-22(20,21)11-5-4-9(8-3-2-6-15-12(8)11)13(18)10-7-16-17-14(10)19/h2-7H,1H3,(H2,16,17,19)