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

Systemtic Name: 4-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]butanoic acid Openeye Name: 4-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]butanoic acid CAS Name: 4-[[[[6-[4-(1-imidazolyl)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]amino]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]butanoic acid Traditional Name: 4-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]butyric acid Formula: C21H20N6O6S MolecularWeight: 484.4851

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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)NCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O6S/c28-19(29)2-1-9-23-21(30)26-20-24-17-8-5-15(12-18(17)25-20)33-34(31,32)16-6-3-14(4-7-16)27-11-10-22-13-27/h3-8,10-13H,1-2,9H2,(H,28,29)(H3,23,24,25,26,30)