N-[1-(1-adamantyl)ethyl]-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(3-acetylphenyl)sulfonyl-N-[1-(1-adamantyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(3-acetylphenyl)sulfonyl-N-[1-(1-adamantyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-acetylphenyl)sulfonyl-N-[1-(1-adamantyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(3-acetylphenyl)sulfonyl-N-[1-(1-adamantyl)ethyl]isonipecotamide Formula: C26H36N2O4S MolecularWeight: 472.64004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)C(=O)C

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)C(=O)C

InChI

InChI=1S/C26H36N2O4S/c1-17(29)23-4-3-5-24(13-23)33(31,32)28-8-6-22(7-9-28)25(30)27-18(2)26-14-19-10-20(15-26)12-21(11-19)16-26/h3-5,13,18-22H,6-12,14-16H2,1-2H3,(H,27,30)