N-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]adamantane-1-carboxamide Openeye Name: N-[2-oxo-2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethyl]adamantane-1-carboxamide CAS Name: N-[2-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]adamantane-1-carboxamide Traditional Name: N-[2-keto-2-[4-(2-thienylsulfonyl)piperazino]ethyl]adamantane-1-carboxamide Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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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=CS5

Isomeric SMILES

C1CN(CCN1C(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C21H29N3O4S2/c25-18(23-3-5-24(6-4-23)30(27,28)19-2-1-7-29-19)14-22-20(26)21-11-15-8-16(12-21)10-17(9-15)13-21/h1-2,7,15-17H,3-6,8-14H2,(H,22,26)