(6-phenoxy-1H-benzimidazol-2-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (6-phenoxy-1H-benzimidazol-2-yl)methyl 4-methylbenzenesulfonate Openeye Name: (6-phenoxy-1H-benzimidazol-2-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-phenoxy-1H-benzimidazol-2-yl)methyl ester IUPAC Name: (6-phenoxy-1H-benzimidazol-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-phenoxy-1H-benzimidazol-2-yl)methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC3=C(N2)C=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2=NC3=C(N2)C=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O4S/c1-15-7-10-18(11-8-15)28(24,25)26-14-21-22-19-12-9-17(13-20(19)23-21)27-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,23)