2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C22H29BrN2O3S MolecularWeight: 481.44626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H29BrN2O3S/c23-22-12-16-9-17(13-22)11-21(10-16,15-22)14-20(26)24-18-3-5-19(6-4-18)29(27,28)25-7-1-2-8-25/h3-6,16-17H,1-2,7-15H2,(H,24,26)/t16-,17+,21?,22?