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

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[4-(cyanomethyl)phenyl]ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[4-(cyanomethyl)phenyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-[4-(cyanomethyl)phenyl]acetamide Formula: C27H31N3O3S MolecularWeight: 477.61834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)CC#N)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=C(C=C1)CC#N)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H31N3O3S/c1-34(32,33)30(18-26(31)29-24-6-2-19(3-7-24)10-11-28)25-8-4-23(5-9-25)27-15-20-12-21(16-27)14-22(13-20)17-27/h2-9,20-22H,10,12-18H2,1H3,(H,29,31)