2-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]propanoic acid CAS Name: 3-hydroxy-2-[[[[6-[4-(1-imidazolyl)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]propanoic acid Traditional Name: 3-hydroxy-2-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]propionic acid Formula: C20H18N6O7S MolecularWeight: 486.45792

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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)NC(CO)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O7S/c27-10-17(18(28)29)24-20(30)25-19-22-15-6-3-13(9-16(15)23-19)33-34(31,32)14-4-1-12(2-5-14)26-8-7-21-11-26/h1-9,11,17,27H,10H2,(H,28,29)(H3,22,23,24,25,30)