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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=NC=CC=N3)S(=O)(=O)CC4=CC=CC=C4

InChI

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