[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] ester IUPAC Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] ester Formula: C17H14N2O6S MolecularWeight: 374.36786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=NC(=NO1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C17H14N2O6S/c1-11-18-17(19-24-11)12-2-4-13(5-3-12)25-26(20,21)14-6-7-15-16(10-14)23-9-8-22-15/h2-7,10H,8-9H2,1H3