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

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-[2-(methylthio)phenyl]acetamide Formula: C26H32N2O3S2 MolecularWeight: 484.67388

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

InChI

InChI=1S/C26H32N2O3S2/c1-32-24-6-4-3-5-23(24)27-25(29)17-28(33(2,30)31)22-9-7-21(8-10-22)26-14-18-11-19(15-26)13-20(12-18)16-26/h3-10,18-20H,11-17H2,1-2H3,(H,27,29)