4-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[6-[4-(1-imidazolyl)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]amino]-4-keto-butyric acid Formula: C20H17N5O6S MolecularWeight: 455.44388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=CN=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1N2C=CN=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)CCC(=O)O

InChI

InChI=1S/C20H17N5O6S/c26-18(7-8-19(27)28)24-20-22-16-6-3-14(11-17(16)23-20)31-32(29,30)15-4-1-13(2-5-15)25-10-9-21-12-25/h1-6,9-12H,7-8H2,(H,27,28)(H2,22,23,24,26)