2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-N,N-diethyl-1-(2-methoxyphenyl)-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-N,N-diethyl-1-(2-methoxyphenyl)benzimidazole-5-sulfonamide Formula: C30H37N3O4S2 MolecularWeight: 567.76248

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6OC

InChI

InChI=1S/C30H37N3O4S2/c1-4-32(5-2)39(35,36)23-10-11-25-24(15-23)31-29(33(25)26-8-6-7-9-27(26)37-3)38-19-28(34)30-16-20-12-21(17-30)14-22(13-20)18-30/h6-11,15,20-22H,4-5,12-14,16-19H2,1-3H3