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

Systemtic Name: (6-azanyl-5-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Openeye Name: (5-allyl-6-amino-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-amino-5-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester IUPAC Name: (6-amino-5-prop-2-enyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-allyl-6-amino-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester Formula: C19H21NO5S MolecularWeight: 375.43874

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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)CC=C

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5S/c1-3-4-16-17(20)9-10-18-19(16)25-14(11-23-18)12-24-26(21,22)15-7-5-13(2)6-8-15/h3,5-10,14H,1,4,11-12,20H2,2H3