(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-[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]-[4-methyl-3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-methyl-3-(1-piperidinylsulfonyl)phenyl]-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-piperidin-1-ylsulfonylphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: [4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]-(4-methyl-3-piperidinosulfonyl-phenyl)methanone Formula: C25H35N5O3S MolecularWeight: 485.6421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H35N5O3S/c1-18(2)24-26-20(4)16-23(27-24)28-12-14-29(15-13-28)25(31)21-9-8-19(3)22(17-21)34(32,33)30-10-6-5-7-11-30/h8-9,16-18H,5-7,10-15H2,1-4H3