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

Systemtic Name: methyl 2-(6-azanyl-5-oxidanyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-benzenesulfonate Openeye Name: methyl 2-(6-amino-5-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-benzenesulfonate CAS Name: 2-(6-amino-5-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylbenzenesulfonic acid methyl ester IUPAC Name: methyl 2-(6-amino-5-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylbenzenesulfonate Traditional Name: 2-(6-amino-5-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-benzenesulfonic acid methyl ester Formula: C16H17NO6S MolecularWeight: 351.37428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)OC)C2COC3=C(O2)C(=C(C=C3)N)O

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)OC)C2COC3=C(O2)C(=C(C=C3)N)O

InChI

InChI=1S/C16H17NO6S/c1-9-3-6-14(24(19,20)21-2)10(7-9)13-8-22-12-5-4-11(17)15(18)16(12)23-13/h3-7,13,18H,8,17H2,1-2H3