4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-6-methoxy-3-(phenylsulfonyl)quinoline

Systemtic Name: 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-6-methoxy-3-(phenylsulfonyl)quinoline Openeye Name: 3-(benzenesulfonyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-6-methoxy-quinoline CAS Name: 3-(benzenesulfonyl)-4-[4-(2,4-dimethylphenyl)-1-piperazinyl]-6-methoxyquinoline IUPAC Name: 3-(benzenesulfonyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-6-methoxyquinoline Traditional Name: 3-besyl-4-[4-(2,4-dimethylphenyl)piperazino]-6-methoxy-quinoline Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)C3=C4C=C(C=CC4=NC=C3S(=O)(=O)C5=CC=CC=C5)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)C3=C4C=C(C=CC4=NC=C3S(=O)(=O)C5=CC=CC=C5)OC)C

InChI

InChI=1S/C28H29N3O3S/c1-20-9-12-26(21(2)17-20)30-13-15-31(16-14-30)28-24-18-22(34-3)10-11-25(24)29-19-27(28)35(32,33)23-7-5-4-6-8-23/h4-12,17-19H,13-16H2,1-3H3