[4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone

Systemtic Name: [4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone Openeye Name: [4-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone CAS Name: [4-[1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]-1-piperazinyl]-(4-methylsulfonylphenyl)methanone IUPAC Name: [4-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone Traditional Name: [4-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]piperazino]-(4-mesylphenyl)methanone Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C23H31N5O3S/c1-17-16-18(2)25-23(24-17)28-10-8-20(9-11-28)26-12-14-27(15-13-26)22(29)19-4-6-21(7-5-19)32(3,30)31/h4-7,16,20H,8-15H2,1-3H3