2-[(1-adamantylamino)methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide; ethanedioic acid

Systemtic Name: 2-[(1-adamantylamino)methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide; ethanedioic acid Openeye Name: 2-[(1-adamantylamino)methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide; oxalic acid CAS Name: 2-[(1-adamantylamino)methyl]-N,N-dimethyl-1-propyl-5-benzimidazolesulfonamide; oxalic acid IUPAC Name: 2-[(1-adamantylamino)methyl]-N,N-dimethyl-1-propylbenzimidazole-5-sulfonamide; oxalic acid Traditional Name: 2-[(1-adamantylamino)methyl]-N,N-dimethyl-1-propyl-benzimidazole-5-sulfonamide; oxalic acid Formula: C25H36N4O6S MolecularWeight: 520.64154

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CNC34CC5CC(C3)CC(C5)C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CNC34CC5CC(C3)CC(C5)C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H34N4O2S.C2H2O4/c1-4-7-27-21-6-5-19(30(28,29)26(2)3)11-20(21)25-22(27)15-24-23-12-16-8-17(13-23)10-18(9-16)14-23;3-1(4)2(5)6/h5-6,11,16-18,24H,4,7-10,12-15H2,1-3H3;(H,3,4)(H,5,6)