(2-azanyl-3H-benzimidazol-5-yl) 4-fluoranylbenzenesulfonate

Systemtic Name: (2-azanyl-3H-benzimidazol-5-yl) 4-fluoranylbenzenesulfonate Openeye Name: (2-amino-3H-benzimidazol-5-yl) 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid (2-amino-3H-benzimidazol-5-yl) ester IUPAC Name: (2-amino-3H-benzimidazol-5-yl) 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid (2-amino-3H-benzimidazol-5-yl) ester Formula: C13H10FN3O3S MolecularWeight: 307.300203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1F)S(=O)(=O)OC2=CC3=C(C=C2)N=C(N3)N

InChI

InChI=1S/C13H10FN3O3S/c14-8-1-4-10(5-2-8)21(18,19)20-9-3-6-11-12(7-9)17-13(15)16-11/h1-7H,(H3,15,16,17)