(3-piperidin-1-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-piperidin-1-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(1-piperidylsulfonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [3-(1-piperidinylsulfonyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (3-piperidin-1-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (3-piperidinosulfonylphenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCN(CC1)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)20-21-8-5-9-22-20)17-6-4-7-18(16-17)29(27,28)25-10-2-1-3-11-25/h4-9,16H,1-3,10-15H2