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

Systemtic Name: 2-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]ethanesulfonic acid Openeye Name: 2-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]ethanesulfonic acid CAS Name: 2-[[[[6-[4-(1-imidazolyl)phenyl]sulfonyloxy-1H-benzimidazol-2-yl]amino]-oxomethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]ethanesulfonic acid Traditional Name: 2-[[6-(4-imidazol-1-ylphenyl)sulfonyloxy-1H-benzimidazol-2-yl]carbamoylamino]ethanesulfonic acid Formula: C19H18N6O7S2 MolecularWeight: 506.51222

Click to see the large picture

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)NCCS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O7S2/c26-19(21-8-10-33(27,28)29)24-18-22-16-6-3-14(11-17(16)23-18)32-34(30,31)15-4-1-13(2-5-15)25-9-7-20-12-25/h1-7,9,11-12H,8,10H2,(H,27,28,29)(H3,21,22,23,24,26)