2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-N-(4-dimethylaminophenyl)ethanamide hydrochloride

Systemtic Name: 2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-N-(4-dimethylaminophenyl)ethanamide hydrochloride Openeye Name: 2-(1-butyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-N-(4-dimethylaminophenyl)acetamide hydrochloride CAS Name: 2-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)thio]-N-(4-dimethylaminophenyl)acetamide hydrochloride IUPAC Name: 2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(4-dimethylaminophenyl)acetamide hydrochloride Traditional Name: 2-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)thio]-N-(4-dimethylaminophenyl)acetamide hydrochloride Formula: C21H28ClN5O3S2 MolecularWeight: 498.06172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=CC=C(C=C3)N(C)C.Cl

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)NC3=CC=C(C=C3)N(C)C.Cl

InChI

InChI=1S/C21H27N5O3S2.ClH/c1-4-5-12-26-19-11-10-17(31(22,28)29)13-18(19)24-21(26)30-14-20(27)23-15-6-8-16(9-7-15)25(2)3;/h6-11,13H,4-5,12,14H2,1-3H3,(H,23,27)(H2,22,28,29);1H