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

Systemtic Name: 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-phenyl-5-(phenylmethyl)pyrimidine Openeye Name: 5-benzyl-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-phenyl-pyrimidine CAS Name: 4-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-6-methyl-2-phenyl-5-(phenylmethyl)pyrimidine IUPAC Name: 5-benzyl-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-phenylpyrimidine Traditional Name: 5-benzyl-4-[4-(4-chlorophenyl)sulfonylpiperazino]-6-methyl-2-phenyl-pyrimidine Formula: C28H27ClN4O2S MolecularWeight: 519.05758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C28H27ClN4O2S/c1-21-26(20-22-8-4-2-5-9-22)28(31-27(30-21)23-10-6-3-7-11-23)32-16-18-33(19-17-32)36(34,35)25-14-12-24(29)13-15-25/h2-15H,16-20H2,1H3