8-(4-methylphenyl)-2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]quinoline

Systemtic Name: 8-(4-methylphenyl)-2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]quinoline Openeye Name: 2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]-8-(p-tolyl)quinoline CAS Name: 8-(4-methylphenyl)-2-[4-[(2-methylsulfonylphenyl)methyl]-1-piperazinyl]quinoline IUPAC Name: 8-(4-methylphenyl)-2-[4-[(2-methylsulfonylphenyl)methyl]piperazin-1-yl]quinoline Traditional Name: 2-[4-(2-mesylbenzyl)piperazino]-8-(p-tolyl)quinoline Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC3=C2N=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC3=C2N=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5S(=O)(=O)C

InChI

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