N-(2,6-dimethylphenyl)-2-[4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[(2-keto-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-ium-1-yl]acetamide Formula: C21H26N5O4S+ MolecularWeight: 444.52724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C21H25N5O4S/c1-14-4-3-5-15(2)20(14)24-19(27)13-25-8-10-26(11-9-25)31(29,30)16-6-7-17-18(12-16)23-21(28)22-17/h3-7,12H,8-11,13H2,1-2H3,(H,24,27)(H2,22,23,28)/p+1