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

Systemtic Name: [2-[(3-chlorophenyl)methylamino]-3H-benzimidazol-5-yl] 4-fluoranylbenzenesulfonate Openeye Name: [2-[(3-chlorophenyl)methylamino]-3H-benzimidazol-5-yl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[(3-chlorophenyl)methylamino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-[(3-chlorophenyl)methylamino]-3H-benzimidazol-5-yl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-[(3-chlorobenzyl)amino]-3H-benzimidazol-5-yl] ester Formula: C20H15ClFN3O3S MolecularWeight: 431.867803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClFN3O3S/c21-14-3-1-2-13(10-14)12-23-20-24-18-9-6-16(11-19(18)25-20)28-29(26,27)17-7-4-15(22)5-8-17/h1-11H,12H2,(H2,23,24,25)