2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(2-bromophenyl)ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(2-bromophenyl)ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-(2-bromophenyl)acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2-bromophenyl)acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2-bromophenyl)acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-(2-bromophenyl)acetamide Formula: C25H29BrN2O3S MolecularWeight: 517.47836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1Br)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1Br)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29BrN2O3S/c1-32(30,31)28(16-24(29)27-23-5-3-2-4-22(23)26)21-8-6-20(7-9-21)25-13-17-10-18(14-25)12-19(11-17)15-25/h2-9,17-19H,10-16H2,1H3,(H,27,29)