4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-quinoline

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-quinoline Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(p-tolylsulfonyl)quinoline CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-(4-methylphenyl)sulfonylquinoline IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylquinoline Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-3-tosyl-quinoline Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3N=C2)N4CCN(CC4)C5=CC=CC(=C5C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3N=C2)N4CCN(CC4)C5=CC=CC(=C5C)C

InChI

InChI=1S/C28H29N3O2S/c1-20-11-13-23(14-12-20)34(32,33)27-19-29-25-9-5-4-8-24(25)28(27)31-17-15-30(16-18-31)26-10-6-7-21(2)22(26)3/h4-14,19H,15-18H2,1-3H3