3,3-dimethyl-1-[4-[[[5-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-[[[5-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-[[[5-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]methyl]-1-piperidyl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[[[5-(4-methylsulfonylphenyl)-2-pyrimidinyl]amino]methyl]-1-piperidinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[[[5-(4-methylsulfonylphenyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]butan-1-one Traditional Name: 1-[4-[[[5-(4-mesylphenyl)pyrimidin-2-yl]amino]methyl]piperidino]-3,3-dimethyl-butan-1-one Formula: C23H32N4O3S MolecularWeight: 444.59018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCC(CC1)CNC2=NC=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)CC(=O)N1CCC(CC1)CNC2=NC=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H32N4O3S/c1-23(2,3)13-21(28)27-11-9-17(10-12-27)14-24-22-25-15-19(16-26-22)18-5-7-20(8-6-18)31(4,29)30/h5-8,15-17H,9-14H2,1-4H3,(H,24,25,26)