8-[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Openeye Name: 8-[4-[6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline CAS Name: 8-[[4-[6-methyl-2-(4-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 8-[4-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Traditional Name: 8-[4-[6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazino]sulfonylquinoline Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=C4N=CC=C5)C

InChI

InChI=1S/C25H25N5O2S/c1-18-8-10-21(11-9-18)25-27-19(2)17-23(28-25)29-13-15-30(16-14-29)33(31,32)22-7-3-5-20-6-4-12-26-24(20)22/h3-12,17H,13-16H2,1-2H3