[2-[(phenylmethyl)amino]-3H-benzimidazol-5-yl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-[(phenylmethyl)amino]-3H-benzimidazol-5-yl] 4-fluoranylbenzenesulfonate Openeye Name: [2-(benzylamino)-3H-benzimidazol-5-yl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-[(phenylmethyl)amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(benzylamino)-3H-benzimidazol-5-yl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-(benzylamino)-3H-benzimidazol-5-yl] ester Formula: C20H16FN3O3S MolecularWeight: 397.422743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16FN3O3S/c21-15-6-9-17(10-7-15)28(25,26)27-16-8-11-18-19(12-16)24-20(23-18)22-13-14-4-2-1-3-5-14/h1-12H,13H2,(H2,22,23,24)