2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-(1H-benzimidazol-2-ylthio)ethoxy]ethyl ester IUPAC Name: 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-(1H-benzimidazol-2-ylthio)ethoxy]ethyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H20N2O4S2/c1-14-6-8-15(9-7-14)26(21,22)24-11-10-23-12-13-25-18-19-16-4-2-3-5-17(16)20-18/h2-9H,10-13H2,1H3,(H,19,20)