1,3-benzodioxol-5-yl 2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonate

Systemtic Name: 1,3-benzodioxol-5-yl 2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonate Openeye Name: 1,3-benzodioxol-5-yl 2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonate CAS Name: 2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonate Traditional Name: 2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonic acid 1,3-benzodioxol-5-yl ester Formula: C22H16N2O7S MolecularWeight: 452.43664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3)S(=O)(=O)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3)S(=O)(=O)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H16N2O7S/c1-27-18-9-7-15(22-24-23-21(30-22)14-5-3-2-4-6-14)11-20(18)32(25,26)31-16-8-10-17-19(12-16)29-13-28-17/h2-12H,13H2,1H3