2-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]ethanoic acid

Systemtic Name: 2-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]ethanoic acid Openeye Name: 2-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]acetic acid CAS Name: 2-[[[[6-[4-(1-imidazolyl)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]amino]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]acetic acid Traditional Name: 2-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]acetic acid Formula: C19H16N6O6S MolecularWeight: 456.43194

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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)NCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H16N6O6S/c26-17(27)10-21-19(28)24-18-22-15-6-3-13(9-16(15)23-18)31-32(29,30)14-4-1-12(2-5-14)25-8-7-20-11-25/h1-9,11H,10H2,(H,26,27)(H3,21,22,23,24,28)