2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(1-adamantyl)-2-oxoethyl]thio]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(1-adamantyl)-2-keto-ethyl]thio]-1-butyl-benzimidazole-5-sulfonamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3O3S2/c1-2-3-6-26-20-5-4-18(31(24,28)29)10-19(20)25-22(26)30-14-21(27)23-11-15-7-16(12-23)9-17(8-15)13-23/h4-5,10,15-17H,2-3,6-9,11-14H2,1H3,(H2,24,28,29)