[2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(pyridin-2-ylmethylamino)benzenesulfonate

Systemtic Name: [2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(pyridin-2-ylmethylamino)benzenesulfonate Openeye Name: [2-(2-pyridylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(2-pyridylmethylamino)benzenesulfonate CAS Name: 4-(2-pyridinylmethylamino)benzenesulfonic acid [2-[[oxo-(2-pyridinylmethylamino)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 4-(pyridin-2-ylmethylamino)benzenesulfonate Traditional Name: 4-(2-pyridylmethylamino)benzenesulfonic acid [2-(2-pyridylmethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C26H23N7O4S MolecularWeight: 529.57032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCC5=CC=CC=N5

Isomeric SMILES

C1=CC=NC(=C1)CNC2=CC=C(C=C2)S(=O)(=O)OC3=CC4=C(C=C3)N=C(N4)NC(=O)NCC5=CC=CC=N5

InChI

InChI=1S/C26H23N7O4S/c34-26(30-17-20-6-2-4-14-28-20)33-25-31-23-12-9-21(15-24(23)32-25)37-38(35,36)22-10-7-18(8-11-22)29-16-19-5-1-3-13-27-19/h1-15,29H,16-17H2,(H3,30,31,32,33,34)