2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(4-sulfamoylphenyl)butanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(4-sulfamoylphenyl)butanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(4-sulfamoylphenyl)butanamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(4-sulfamoylphenyl)butanamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(4-sulfamoylphenyl)butanamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(4-sulfamoylphenyl)butyramide Formula: C17H19N4O3S2+ MolecularWeight: 391.48776

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C17H18N4O3S2/c1-2-15(25-17-20-13-5-3-4-6-14(13)21-17)16(22)19-11-7-9-12(10-8-11)26(18,23)24/h3-10,15H,2H2,1H3,(H,19,22)(H,20,21)(H2,18,23,24)/p+1