N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]adamantane-1-carboxamide Openeye Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]adamantane-1-carboxamide CAS Name: N-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]propyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylpropyl]adamantane-1-carboxamide Traditional Name: N-[3-[4-(2-pyrimidyl)piperazino]sulfonylpropyl]adamantane-1-carboxamide Formula: C22H33N5O3S MolecularWeight: 447.59412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

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