6-methyl-3-(4-methylphenyl)sulfonyl-4-[4-(phenylmethyl)piperazin-1-yl]quinoline

Systemtic Name: 6-methyl-3-(4-methylphenyl)sulfonyl-4-[4-(phenylmethyl)piperazin-1-yl]quinoline Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-methyl-3-(p-tolylsulfonyl)quinoline CAS Name: 6-methyl-3-(4-methylphenyl)sulfonyl-4-[4-(phenylmethyl)-1-piperazinyl]quinoline IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-methyl-3-(4-methylphenyl)sulfonylquinoline Traditional Name: 4-(4-benzylpiperazino)-6-methyl-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=CN=C3C=CC(=CC3=C2N4CCN(CC4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN=C3C=CC(=CC3=C2N4CCN(CC4)CC5=CC=CC=C5)C

InChI

InChI=1S/C28H29N3O2S/c1-21-8-11-24(12-9-21)34(32,33)27-19-29-26-13-10-22(2)18-25(26)28(27)31-16-14-30(15-17-31)20-23-6-4-3-5-7-23/h3-13,18-19H,14-17,20H2,1-2H3