2-(4-chlorophenyl)-4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 2-(4-chlorophenyl)-4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 2-(4-chlorophenyl)-4,5-dimethyl-6-[4-(p-tolylsulfonyl)piperazin-1-yl]pyrimidine CAS Name: 2-(4-chlorophenyl)-4,5-dimethyl-6-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 2-(4-chlorophenyl)-4,5-dimethyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 2-(4-chlorophenyl)-4,5-dimethyl-6-(4-tosylpiperazino)pyrimidine Formula: C23H25ClN4O2S MolecularWeight: 456.9882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3C)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3C)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN4O2S/c1-16-4-10-21(11-5-16)31(29,30)28-14-12-27(13-15-28)23-17(2)18(3)25-22(26-23)19-6-8-20(24)9-7-19/h4-11H,12-15H2,1-3H3