5-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[6-[4-(1-imidazolyl)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]amino]-5-keto-valeric acid Formula: C21H19N5O6S MolecularWeight: 469.47046

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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)CCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O6S/c27-19(2-1-3-20(28)29)25-21-23-17-9-6-15(12-18(17)24-21)32-33(30,31)16-7-4-14(5-8-16)26-11-10-22-13-26/h4-13H,1-3H2,(H,28,29)(H2,23,24,25,27)