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

Systemtic Name: 3-[5-(4-bromophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-2-chloranyl-7-methyl-quinoline Openeye Name: 3-[5-(4-bromophenyl)-2-(p-tolylsulfonyl)-3,4-dihydropyrazol-3-yl]-2-chloro-7-methyl-quinoline CAS Name: 3-[5-(4-bromophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-2-chloro-7-methylquinoline IUPAC Name: 3-[5-(4-bromophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-2-chloro-7-methylquinoline Traditional Name: 3-[5-(4-bromophenyl)-2-tosyl-2-pyrazolin-3-yl]-2-chloro-7-methyl-quinoline Formula: C26H21BrClN3O2S MolecularWeight: 554.88584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21BrClN3O2S/c1-16-4-11-21(12-5-16)34(32,33)31-25(15-24(30-31)18-7-9-20(27)10-8-18)22-14-19-6-3-17(2)13-23(19)29-26(22)28/h3-14,25H,15H2,1-2H3