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

Systemtic Name: (6-azanyl-5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (6-amino-5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-amino-5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester IUPAC Name: (6-amino-5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-amino-5-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester Formula: C17H19NO5S MolecularWeight: 349.40146

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO5S/c1-11-3-5-14(6-4-11)24(19,20)22-10-13-9-21-16-8-7-15(18)12(2)17(16)23-13/h3-8,13H,9-10,18H2,1-2H3