N-(1-adamantyl)-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(1-adamantyl)-2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-N-(1-adamantyl)propanamide CAS Name: 2-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-N-(1-adamantyl)propanamide IUPAC Name: 2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-N-(1-adamantyl)propanamide Traditional Name: 2-[4-(4-acetylphenyl)sulfonylpiperazino]-N-(1-adamantyl)propionamide Formula: C25H35N3O4S MolecularWeight: 473.6281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C(=O)C

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C(=O)C

InChI

InChI=1S/C25H35N3O4S/c1-17(24(30)26-25-14-19-11-20(15-25)13-21(12-19)16-25)27-7-9-28(10-8-27)33(31,32)23-5-3-22(4-6-23)18(2)29/h3-6,17,19-21H,7-16H2,1-2H3,(H,26,30)