[1-(phenylmethyl)sulfonylpiperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(phenylmethyl)sulfonylpiperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: (1-benzylsulfonyl-3-piperidyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [1-(phenylmethyl)sulfonyl-3-piperidinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (1-benzylsulfonylpiperidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (1-benzylsulfonyl-3-piperidyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N5O3S/c27-20(24-12-14-25(15-13-24)21-22-9-5-10-23-21)19-8-4-11-26(16-19)30(28,29)17-18-6-2-1-3-7-18/h1-3,5-7,9-10,19H,4,8,11-17H2