(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-oxidanyladamantane-1-carboxylate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-oxidanyladamantane-1-carboxylate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C23H31N3O5S/c1-2-3-6-26-19-5-4-17(32(24,29)30)8-18(19)25-20(26)13-31-21(27)22-9-15-7-16(10-22)12-23(28,11-15)14-22/h4-5,8,15-16,28H,2-3,6-7,9-14H2,1H3,(H2,24,29,30)