N-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-(4-besylpiperazino)-2-keto-ethyl]adamantane-1-carboxamide Formula: C23H31N3O4S MolecularWeight: 445.57494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H31N3O4S/c27-21(16-24-22(28)23-13-17-10-18(14-23)12-19(11-17)15-23)25-6-8-26(9-7-25)31(29,30)20-4-2-1-3-5-20/h1-5,17-19H,6-16H2,(H,24,28)