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

Systemtic Name: N-[1-(1-adamantyl)propyl]-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(3-acetylphenyl)sulfonyl-N-[1-(1-adamantyl)propyl]piperidine-4-carboxamide CAS Name: 1-(3-acetylphenyl)sulfonyl-N-[1-(1-adamantyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-acetylphenyl)sulfonyl-N-[1-(1-adamantyl)propyl]piperidine-4-carboxamide Traditional Name: 1-(3-acetylphenyl)sulfonyl-N-[1-(1-adamantyl)propyl]isonipecotamide Formula: C27H38N2O4S MolecularWeight: 486.66662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O4S/c1-3-25(27-15-19-11-20(16-27)13-21(12-19)17-27)28-26(31)22-7-9-29(10-8-22)34(32,33)24-6-4-5-23(14-24)18(2)30/h4-6,14,19-22,25H,3,7-13,15-17H2,1-2H3,(H,28,31)