(5S,7R)-3-acetamido-N-[3-(azepan-1-ylsulfonyl)phenyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-[3-(azepan-1-ylsulfonyl)phenyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-[3-(azepan-1-ylsulfonyl)phenyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[3-(1-azepanylsulfonyl)phenyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-[3-(azepan-1-ylsulfonyl)phenyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-[3-(azepan-1-ylsulfonyl)phenyl]adamantane-1-carboxamide Formula: C25H35N3O4S MolecularWeight: 473.6281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C3)(C2)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C25H35N3O4S/c1-18(29)27-25-15-19-11-20(16-25)14-24(13-19,17-25)23(30)26-21-7-6-8-22(12-21)33(31,32)28-9-4-2-3-5-10-28/h6-8,12,19-20H,2-5,9-11,13-17H2,1H3,(H,26,30)(H,27,29)/t19-,20+,24?,25?