[6-azanyl-5-[(E)-hydroxyiminomethyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [6-azanyl-5-[(E)-hydroxyiminomethyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [6-amino-5-[(E)-hydroxyiminomethyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-amino-5-[(E)-hydroxyiminomethyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [6-amino-5-[(E)-hydroxyiminomethyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-amino-5-[(E)-hydroximinomethyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C(=C(C=C3)N)C=NO

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S/c1-11-2-4-13(5-3-11)26(21,22)24-10-12-9-23-16-7-6-15(18)14(8-19-20)17(16)25-12/h2-8,12,20H,9-10,18H2,1H3/b19-8+