8-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Openeye Name: 8-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline CAS Name: 8-[[4-[6-methyl-2-(3-methylphenyl)-4-pyrimidinyl]-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 8-[4-[6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Traditional Name: 8-[4-[6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]sulfonylquinoline Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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