[1-(phenylsulfonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(phenylsulfonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(benzenesulfonyl)-3-piperidyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [1-(benzenesulfonyl)-3-piperidinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [1-(benzenesulfonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (1-besyl-3-piperidyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3S/c26-19(23-12-14-24(15-13-23)20-21-9-5-10-22-20)17-6-4-11-25(16-17)29(27,28)18-7-2-1-3-8-18/h1-3,5,7-10,17H,4,6,11-16H2