[2-[(3-methoxyphenyl)methylamino]-3H-benzimidazol-5-yl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-3H-benzimidazol-5-yl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-3H-benzimidazol-5-yl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[(3-methoxyphenyl)methylamino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-3H-benzimidazol-5-yl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-(m-anisylamino)-3H-benzimidazol-5-yl] ester Formula: C21H18FN3O4S MolecularWeight: 427.448723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)CNC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN3O4S/c1-28-16-4-2-3-14(11-16)13-23-21-24-19-10-7-17(12-20(19)25-21)29-30(26,27)18-8-5-15(22)6-9-18/h2-12H,13H2,1H3,(H2,23,24,25)