[2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 2,6-bis(fluoranyl)benzenesulfonate

Systemtic Name: [2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 2,6-bis(fluoranyl)benzenesulfonate Openeye Name: [2-(2-pyridylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 2,6-difluorobenzenesulfonate CAS Name: 2,6-difluorobenzenesulfonic acid [2-[[oxo-(2-pyridinylmethylamino)methyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(pyridin-2-ylmethylcarbamoylamino)-3H-benzimidazol-5-yl] 2,6-difluorobenzenesulfonate Traditional Name: 2,6-difluorobenzenesulfonic acid [2-(2-pyridylmethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C20H15F2N5O4S MolecularWeight: 459.426006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=C(C=CC=C4F)F

InChI

InChI=1S/C20H15F2N5O4S/c21-14-5-3-6-15(22)18(14)32(29,30)31-13-7-8-16-17(10-13)26-19(25-16)27-20(28)24-11-12-4-1-2-9-23-12/h1-10H,11H2,(H3,24,25,26,27,28)