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

Systemtic Name: N-[4-[2-(3-oxidanylidene-5-propyl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]ethanesulfonamide Openeye Name: N-[4-[[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)-4-quinolyl]sulfanyl]phenyl]ethanesulfonamide CAS Name: N-[4-[[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)-4-quinolinyl]thio]phenyl]ethanesulfonamide IUPAC Name: N-[4-[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]ethanesulfonamide Traditional Name: N-[4-[[2-(3-keto-5-propyl-3-pyrazolin-4-yl)-4-quinolyl]thio]phenyl]ethanesulfonamide Formula: C23H24N4O3S2 MolecularWeight: 468.59166

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)NS(=O)(=O)CC

Isomeric SMILES

CCCC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)NS(=O)(=O)CC

InChI

InChI=1S/C23H24N4O3S2/c1-3-7-19-22(23(28)26-25-19)20-14-21(17-8-5-6-9-18(17)24-20)31-16-12-10-15(11-13-16)27-32(29,30)4-2/h5-6,8-14,27H,3-4,7H2,1-2H3,(H2,25,26,28)