2-(1-adamantyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]ethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-[4-(2-pyrimidyl)piperazino]sulfonylethyl]acetamide Formula: C22H33N5O3S MolecularWeight: 447.59412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCNC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCNC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H33N5O3S/c28-20(16-22-13-17-10-18(14-22)12-19(11-17)15-22)23-4-9-31(29,30)27-7-5-26(6-8-27)21-24-2-1-3-25-21/h1-3,17-19H,4-16H2,(H,23,28)