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

Systemtic Name: methyl 2-(6-azanyl-5-oxidanyl-2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-benzenesulfonate hydrochloride Openeye Name: methyl 2-(6-amino-5-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-benzenesulfonate hydrochloride CAS Name: 2-(6-amino-5-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylbenzenesulfonic acid methyl ester hydrochloride IUPAC Name: methyl 2-(6-amino-5-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylbenzenesulfonate hydrochloride Traditional Name: 2-(6-amino-5-hydroxy-2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-benzenesulfonic acid methyl ester hydrochloride Formula: C16H18ClNO6S MolecularWeight: 387.83522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO6S.ClH/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;1H