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

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-(2-benzylsulfanylethyl)acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2-benzylsulfanylethyl)acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-[2-(benzylthio)ethyl]acetamide Formula: C28H36N2O3S2 MolecularWeight: 512.72704

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCSCC1=CC=CC=C1)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCSCC1=CC=CC=C1)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H36N2O3S2/c1-35(32,33)30(19-27(31)29-11-12-34-20-21-5-3-2-4-6-21)26-9-7-25(8-10-26)28-16-22-13-23(17-28)15-24(14-22)18-28/h2-10,22-24H,11-20H2,1H3,(H,29,31)