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

Systemtic Name: [5,6-bis(azanyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: (5,6-diamino-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5,6-diamino-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester IUPAC Name: (5,6-diamino-2,3-dihydro-1,4-benzodioxin-3-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5,6-diamino-2,3-dihydro-1,4-benzodioxin-3-yl)methyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5S/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