N-[4-(1-adamantyl)phenyl]-N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]methanesulfonamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]methanesulfonamide Openeye Name: N-[4-(1-adamantyl)phenyl]-N-[2-(azepan-1-yl)-2-oxo-ethyl]methanesulfonamide CAS Name: N-[4-(1-adamantyl)phenyl]-N-[2-(1-azepanyl)-2-oxoethyl]methanesulfonamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-N-[2-(azepan-1-yl)-2-oxoethyl]methanesulfonamide Traditional Name: N-[4-(1-adamantyl)phenyl]-N-[2-(azepan-1-yl)-2-keto-ethyl]methanesulfonamide Formula: C25H36N2O3S MolecularWeight: 444.62994

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)N1CCCCCC1)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)N(CC(=O)N1CCCCCC1)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H36N2O3S/c1-31(29,30)27(18-24(28)26-10-4-2-3-5-11-26)23-8-6-22(7-9-23)25-15-19-12-20(16-25)14-21(13-19)17-25/h6-9,19-21H,2-5,10-18H2,1H3