N-[1-(1-adamantyl)ethyl]-2-(1-methyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-2-(1-methyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-2-(1-methyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[1-(1-adamantyl)ethyl]-2-[(1-methyl-5-sulfamoyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[1-(1-adamantyl)ethyl]-2-[(1-methyl-5-sulfamoyl-benzimidazol-2-yl)thio]acetamide Formula: C22H30N4O3S2 MolecularWeight: 462.6286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=C(N4C)C=CC(=C5)S(=O)(=O)N

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC5=C(N4C)C=CC(=C5)S(=O)(=O)N

InChI

InChI=1S/C22H30N4O3S2/c1-13(22-9-14-5-15(10-22)7-16(6-14)11-22)24-20(27)12-30-21-25-18-8-17(31(23,28)29)3-4-19(18)26(21)2/h3-4,8,13-16H,5-7,9-12H2,1-2H3,(H,24,27)(H2,23,28,29)