N-(1-adamantyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide

Systemtic Name: N-(1-adamantyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide Openeye Name: N-(1-adamantyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide CAS Name: N-(1-adamantyl)-3-[4-(1-azepanylsulfonyl)phenyl]propanamide IUPAC Name: N-(1-adamantyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide Traditional Name: N-(1-adamantyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propionamide Formula: C25H36N2O3S MolecularWeight: 444.62994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H36N2O3S/c28-24(26-25-16-20-13-21(17-25)15-22(14-20)18-25)10-7-19-5-8-23(9-6-19)31(29,30)27-11-3-1-2-4-12-27/h5-6,8-9,20-22H,1-4,7,10-18H2,(H,26,28)