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

Systemtic Name: [5,6-bis(azanyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate dihydrochloride Openeye Name: (5,6-diamino-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate dihydrochloride CAS Name: 4-methylbenzenesulfonic acid (5,6-diamino-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester dihydrochloride IUPAC Name: (5,6-diamino-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate dihydrochloride Traditional Name: 4-methylbenzenesulfonic acid (5,6-diamino-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester dihydrochloride Formula: C16H20Cl2N2O5S MolecularWeight: 423.3114

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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)N.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5S.2ClH/c1-10-2-4-12(5-3-10)24(19,20)22-9-11-8-21-14-7-6-13(17)15(18)16(14)23-11;;/h2-7,11H,8-9,17-18H2,1H3;2*1H