[2-methoxy-4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)iminomethyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)iminomethyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [2-methoxy-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-methoxy-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [4-[(2-keto-1,3-dihydrobenzimidazol-5-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C21H16FN3O5S MolecularWeight: 441.432243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NC2=CC3=C(C=C2)NC(=O)N3)OS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=CC(=C1)C=NC2=CC3=C(C=C2)NC(=O)N3)OS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN3O5S/c1-29-20-10-13(12-23-15-5-8-17-18(11-15)25-21(26)24-17)2-9-19(20)30-31(27,28)16-6-3-14(22)4-7-16/h2-12H,1H3,(H2,24,25,26)