2-[4-(1-adamantyl)piperazin-1-yl]-N-[4-(azepan-1-ylsulfonyl)phenyl]ethanamide

Systemtic Name: 2-[4-(1-adamantyl)piperazin-1-yl]-N-[4-(azepan-1-ylsulfonyl)phenyl]ethanamide Openeye Name: 2-[4-(1-adamantyl)piperazin-1-yl]-N-[4-(azepan-1-ylsulfonyl)phenyl]acetamide CAS Name: 2-[4-(1-adamantyl)-1-piperazinyl]-N-[4-(1-azepanylsulfonyl)phenyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)piperazin-1-yl]-N-[4-(azepan-1-ylsulfonyl)phenyl]acetamide Traditional Name: 2-[4-(1-adamantyl)piperazino]-N-[4-(azepan-1-ylsulfonyl)phenyl]acetamide Formula: C28H42N4O3S MolecularWeight: 514.72308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H42N4O3S/c33-27(29-25-5-7-26(8-6-25)36(34,35)32-9-3-1-2-4-10-32)21-30-11-13-31(14-12-30)28-18-22-15-23(19-28)17-24(16-22)20-28/h5-8,22-24H,1-4,9-21H2,(H,29,33)