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

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(2-tert-butylsulfanylethyl)ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-(2-tert-butylsulfanylethyl)acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[2-(tert-butylthio)ethyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2-tert-butylsulfanylethyl)acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-[2-(tert-butylthio)ethyl]acetamide Formula: C25H38N2O3S2 MolecularWeight: 478.71082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)CN(C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)SCCNC(=O)CN(C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C

InChI

InChI=1S/C25H38N2O3S2/c1-24(2,3)31-10-9-26-23(28)17-27(32(4,29)30)22-7-5-21(6-8-22)25-14-18-11-19(15-25)13-20(12-18)16-25/h5-8,18-20H,9-17H2,1-4H3,(H,26,28)