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

Systemtic Name: 3-[5-(4-bromophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-2-chloranyl-7-ethoxy-quinoline Openeye Name: 3-[5-(4-bromophenyl)-2-(p-tolylsulfonyl)-3,4-dihydropyrazol-3-yl]-2-chloro-7-ethoxy-quinoline CAS Name: 3-[5-(4-bromophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-2-chloro-7-ethoxyquinoline IUPAC Name: 3-[5-(4-bromophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-2-chloro-7-ethoxyquinoline Traditional Name: 3-[5-(4-bromophenyl)-2-tosyl-2-pyrazolin-3-yl]-2-chloro-7-ethoxy-quinoline Formula: C27H23BrClN3O3S MolecularWeight: 584.91182

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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=C(C=C5)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H23BrClN3O3S/c1-3-35-21-11-8-19-14-23(27(29)30-24(19)15-21)26-16-25(18-6-9-20(28)10-7-18)31-32(26)36(33,34)22-12-4-17(2)5-13-22/h4-15,26H,3,16H2,1-2H3