N-[3-[2-(3-oxidanylidene-5-propyl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]phenyl]methanesulfonamide

Systemtic Name: N-[3-[2-(3-oxidanylidene-5-propyl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]phenyl]methanesulfonamide Openeye Name: N-[3-[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)-4-quinolyl]phenyl]methanesulfonamide CAS Name: N-[3-[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)-4-quinolinyl]phenyl]methanesulfonamide IUPAC Name: N-[3-[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]phenyl]methanesulfonamide Traditional Name: N-[3-[2-(3-keto-5-propyl-3-pyrazolin-4-yl)-4-quinolyl]phenyl]methanesulfonamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)C4=CC(=CC=C4)NS(=O)(=O)C

Isomeric SMILES

CCCC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)C4=CC(=CC=C4)NS(=O)(=O)C

InChI

InChI=1S/C22H22N4O3S/c1-3-7-19-21(22(27)25-24-19)20-13-17(16-10-4-5-11-18(16)23-20)14-8-6-9-15(12-14)26-30(2,28)29/h4-6,8-13,26H,3,7H2,1-2H3,(H2,24,25,27)