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

Systemtic Name: 4-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-(phenylsulfonyl)quinoline Openeye Name: 3-(benzenesulfonyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]quinoline CAS Name: 3-(benzenesulfonyl)-4-[4-(2,4-dimethylphenyl)-1-piperazinyl]quinoline IUPAC Name: 3-(benzenesulfonyl)-4-[4-(2,4-dimethylphenyl)piperazin-1-yl]quinoline Traditional Name: 3-besyl-4-[4-(2,4-dimethylphenyl)piperazino]quinoline Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=NC4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=NC4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C27H27N3O2S/c1-20-12-13-25(21(2)18-20)29-14-16-30(17-15-29)27-23-10-6-7-11-24(23)28-19-26(27)33(31,32)22-8-4-3-5-9-22/h3-13,18-19H,14-17H2,1-2H3