2-(benzimidazol-1-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(benzimidazol-1-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(benzimidazol-1-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(1-benzimidazolyl)ethyl ester IUPAC Name: 2-(benzimidazol-1-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(benzimidazol-1-yl)ethyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=NC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=NC3=CC=CC=C32

InChI

InChI=1S/C16H16N2O3S/c1-13-6-8-14(9-7-13)22(19,20)21-11-10-18-12-17-15-4-2-3-5-16(15)18/h2-9,12H,10-11H2,1H3