(2-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazol-8-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (2-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazol-8-yl)methyl 4-methylbenzenesulfonate Openeye Name: (2-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazol-8-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazol-8-yl)methyl ester IUPAC Name: (2-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazol-8-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-ethyl-7,8-dihydro-3H-[1,4]dioxino[2,3-e]benzimidazol-8-yl)methyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C=CC3=C2OC(CO3)COS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(N1)C=CC3=C2OC(CO3)COS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C19H20N2O5S/c1-3-17-20-15-8-9-16-19(18(15)21-17)26-13(10-24-16)11-25-27(22,23)14-6-4-12(2)5-7-14/h4-9,13H,3,10-11H2,1-2H3,(H,20,21)