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

Systemtic Name: (4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-phenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(1-piperidyl)-3-(1-piperidylsulfonyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-(1-piperidinyl)-3-(1-piperidinylsulfonyl)phenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (4-piperidin-1-yl-3-piperidin-1-ylsulfonylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (4-piperidino-3-piperidinosulfonyl-phenyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C25H34N6O3S MolecularWeight: 498.64086

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C25H34N6O3S/c32-24(29-16-18-30(19-17-29)25-26-10-7-11-27-25)21-8-9-22(28-12-3-1-4-13-28)23(20-21)35(33,34)31-14-5-2-6-15-31/h7-11,20H,1-6,12-19H2