3-methyl-8-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonyl-quinoline

Systemtic Name: 3-methyl-8-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonyl-quinoline Openeye Name: 8-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]sulfonyl-3-methyl-quinoline CAS Name: 3-methyl-8-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 3-methyl-8-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylquinoline Traditional Name: 8-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]sulfonyl-3-methyl-quinoline Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC(=CN=C43)C

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=CC(=CN=C43)C

InChI

InChI=1S/C22H27N5O2S/c1-15(2)22-24-17(4)13-20(25-22)26-8-10-27(11-9-26)30(28,29)19-7-5-6-18-12-16(3)14-23-21(18)19/h5-7,12-15H,8-11H2,1-4H3