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

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-[2-(phenylthio)ethyl]acetamide Formula: C27H34N2O3S2 MolecularWeight: 498.70046

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCSC1=CC=CC=C1)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCSC1=CC=CC=C1)C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H34N2O3S2/c1-34(31,32)29(19-26(30)28-11-12-33-25-5-3-2-4-6-25)24-9-7-23(8-10-24)27-16-20-13-21(17-27)15-22(14-20)18-27/h2-10,20-22H,11-19H2,1H3,(H,28,30)