(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl adamantane-1-carboxylate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl adamantane-1-carboxylate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H33N3O5S/c1-2-28-22-4-3-20(34(30,31)27-5-7-32-8-6-27)12-21(22)26-23(28)16-33-24(29)25-13-17-9-18(14-25)11-19(10-17)15-25/h3-4,12,17-19H,2,5-11,13-16H2,1H3