3-chloranyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]adamantane-1-carboxamide Openeye Name: 3-chloro-N-[2-[4-(2-pyridyl)piperazin-1-yl]sulfonylethyl]adamantane-1-carboxamide CAS Name: 3-chloro-N-[2-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]ethyl]-1-adamantanecarboxamide IUPAC Name: 3-chloro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]adamantane-1-carboxamide Traditional Name: 3-chloro-N-[2-[4-(2-pyridyl)piperazino]sulfonylethyl]adamantane-1-carboxamide Formula: C22H31ClN4O3S MolecularWeight: 467.02454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)CCNC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)S(=O)(=O)CCNC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C22H31ClN4O3S/c23-22-14-17-11-18(15-22)13-21(12-17,16-22)20(28)25-5-10-31(29,30)27-8-6-26(7-9-27)19-3-1-2-4-24-19/h1-4,17-18H,5-16H2,(H,25,28)