4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidine

Systemtic Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidine Openeye Name: 5-benzyl-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(m-tolyl)pyrimidine CAS Name: 4-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidine IUPAC Name: 5-benzyl-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(3-methylphenyl)pyrimidine Traditional Name: 5-benzyl-4-[4-(4-chlorophenyl)sulfonylpiperazino]-6-methyl-2-(m-tolyl)pyrimidine Formula: C29H29ClN4O2S MolecularWeight: 533.08416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC(=C(C(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5)C

InChI

InChI=1S/C29H29ClN4O2S/c1-21-7-6-10-24(19-21)28-31-22(2)27(20-23-8-4-3-5-9-23)29(32-28)33-15-17-34(18-16-33)37(35,36)26-13-11-25(30)12-14-26/h3-14,19H,15-18,20H2,1-2H3