2-(1,2-diphenylethylamino)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1,2-diphenylethylamino)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,2-diphenylethylamino)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(1,2-diphenylethylamino)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1,2-diphenylethylamino)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1,2-diphenylethylamino)-1-(4-tosylpiperazino)ethanone Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CNC(CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-22-12-14-25(15-13-22)34(32,33)30-18-16-29(17-19-30)27(31)21-28-26(24-10-6-3-7-11-24)20-23-8-4-2-5-9-23/h2-15,26,28H,16-21H2,1H3