[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: [4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]-[1-(p-tolylsulfonyl)-4-piperidyl]methanone CAS Name: [1-(4-methylphenyl)sulfonyl-4-piperidinyl]-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: [4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-(1-tosyl-4-piperidyl)methanone Formula: C25H35N5O3S MolecularWeight: 485.6421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=NC(=NC(=C4)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C4=NC(=NC(=C4)C)C(C)C

InChI

InChI=1S/C25H35N5O3S/c1-18(2)24-26-20(4)17-23(27-24)28-13-15-29(16-14-28)25(31)21-9-11-30(12-10-21)34(32,33)22-7-5-19(3)6-8-22/h5-8,17-18,21H,9-16H2,1-4H3