2-[4-(1H-benzimidazol-2-yl)phenoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[4-(1H-benzimidazol-2-yl)phenoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-(1H-benzimidazol-2-yl)phenoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-(1H-benzimidazol-2-yl)phenoxy]ethyl ester IUPAC Name: 2-[4-(1H-benzimidazol-2-yl)phenoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[4-(1H-benzimidazol-2-yl)phenoxy]ethyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H20N2O4S/c1-16-6-12-19(13-7-16)29(25,26)28-15-14-27-18-10-8-17(9-11-18)22-23-20-4-2-3-5-21(20)24-22/h2-13H,14-15H2,1H3,(H,23,24)