2-chloranyl-7-ethoxy-3-[2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoline

Systemtic Name: 2-chloranyl-7-ethoxy-3-[2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoline Openeye Name: 2-chloro-7-ethoxy-3-[5-phenyl-2-(p-tolylsulfonyl)-3,4-dihydropyrazol-3-yl]quinoline CAS Name: 2-chloro-7-ethoxy-3-[2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoline IUPAC Name: 2-chloro-7-ethoxy-3-[2-(4-methylphenyl)sulfonyl-5-phenyl-3,4-dihydropyrazol-3-yl]quinoline Traditional Name: 2-chloro-7-ethoxy-3-(5-phenyl-2-tosyl-2-pyrazolin-3-yl)quinoline Formula: C27H24ClN3O3S MolecularWeight: 506.01576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5)Cl

Isomeric SMILES

CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3S(=O)(=O)C4=CC=C(C=C4)C)C5=CC=CC=C5)Cl

InChI

InChI=1S/C27H24ClN3O3S/c1-3-34-21-12-11-20-15-23(27(28)29-24(20)16-21)26-17-25(19-7-5-4-6-8-19)30-31(26)35(32,33)22-13-9-18(2)10-14-22/h4-16,26H,3,17H2,1-2H3