4-piperidin-1-ylsulfonyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide

Systemtic Name: 4-piperidin-1-ylsulfonyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Openeye Name: 4-(1-piperidylsulfonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide CAS Name: 4-(1-piperidinylsulfonyl)-N-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: 4-piperidin-1-ylsulfonyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide Traditional Name: 4-piperidinosulfonyl-N-[2-[4-(2-pyrimidyl)piperazino]sulfonylethyl]benzamide Formula: C22H30N6O5S2 MolecularWeight: 522.6408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O5S2/c29-21(19-5-7-20(8-6-19)35(32,33)28-12-2-1-3-13-28)23-11-18-34(30,31)27-16-14-26(15-17-27)22-24-9-4-10-25-22/h4-10H,1-3,11-18H2,(H,23,29)