ethyl 4-[4-[2-oxidanylidene-2-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-oxidanylidene-2-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-keto-2-[(2-keto-1,3-dihydrobenzimidazol-5-yl)amino]ethyl]piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester Formula: C22H26N5O6S+ MolecularWeight: 488.53674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C22H25N5O6S/c1-2-33-21(29)15-3-6-17(7-4-15)34(31,32)27-11-9-26(10-12-27)14-20(28)23-16-5-8-18-19(13-16)25-22(30)24-18/h3-8,13H,2,9-12,14H2,1H3,(H,23,28)(H2,24,25,30)/p+1