8-[4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Openeye Name: 8-[4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline CAS Name: 8-[[4-[2-(4-chlorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 8-[4-[5-benzyl-2-(4-chlorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Traditional Name: 8-[4-[5-benzyl-2-(4-chlorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]sulfonylquinoline Formula: C31H28ClN5O2S MolecularWeight: 570.10432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C31H28ClN5O2S/c1-22-27(21-23-7-3-2-4-8-23)31(35-30(34-22)25-12-14-26(32)15-13-25)36-17-19-37(20-18-36)40(38,39)28-11-5-9-24-10-6-16-33-29(24)28/h2-16H,17-21H2,1H3