methyl 5-[4-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-piperazin-4-iumyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[3-(2-keto-3H-benzimidazol-1-yl)propyl]piperazin-4-ium-1-yl]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C20H25N4O5S2+ MolecularWeight: 465.5663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CC[NH+](CC2)CCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

COC(=O)C1=CSC(=C1)S(=O)(=O)N2CC[NH+](CC2)CCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C20H24N4O5S2/c1-29-19(25)15-13-18(30-14-15)31(27,28)23-11-9-22(10-12-23)7-4-8-24-17-6-3-2-5-16(17)21-20(24)26/h2-3,5-6,13-14H,4,7-12H2,1H3,(H,21,26)/p+1