2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethyl 4-methylbenzenesulfonate Openeye Name: 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethyl ester Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)N=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)N=CC=C3

InChI

InChI=1S/C15H15NO5S/c1-11-4-6-13(7-5-11)22(17,18)20-10-12-9-19-14-3-2-8-16-15(14)21-12/h2-8,12H,9-10H2,1H3