2-chloranyl-8-methyl-3-[2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoline

Systemtic Name: 2-chloranyl-8-methyl-3-[2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-8-methyl-3-[5-phenyl-2-(p-tolylsulfonyl)-3,4-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-8-methyl-3-[2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-8-methyl-3-[2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoline Traditional Name: 2-chloro-8-methyl-3-(5-phenyl-2-tosyl-2-pyrazolin-3-yl)quinoline Formula: C26H22ClN3O2S MolecularWeight: 475.98978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=C(N=C5C(=CC=CC5=C4)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=C(N=C5C(=CC=CC5=C4)C)Cl

InChI

InChI=1S/C26H22ClN3O2S/c1-17-11-13-21(14-12-17)33(31,32)30-24(16-23(29-30)19-8-4-3-5-9-19)22-15-20-10-6-7-18(2)25(20)28-26(22)27/h3-15,24H,16H2,1-2H3