2-[4-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)ethanamide Openeye Name: 2-[4-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[4-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)sulfonyl]-1-piperazin-1-iumyl]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[4-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide Traditional Name: N-(3,4-dimethylphenyl)-2-[4-(2-keto-1,3-dimethyl-benzimidazol-5-yl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C23H30N5O4S+ MolecularWeight: 472.5804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)N4C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=O)N4C)C)C

InChI

InChI=1S/C23H29N5O4S/c1-16-5-6-18(13-17(16)2)24-22(29)15-27-9-11-28(12-10-27)33(31,32)19-7-8-20-21(14-19)26(4)23(30)25(20)3/h5-8,13-14H,9-12,15H2,1-4H3,(H,24,29)/p+1