(4-cyanophenyl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: (4-cyanophenyl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: (4-cyanophenyl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid (4-cyanobenzyl) ester Formula: C19H17NO6S MolecularWeight: 387.40638

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)CCC(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H17NO6S/c20-12-14-1-3-15(4-2-14)13-26-19(21)7-10-27(22,23)16-5-6-17-18(11-16)25-9-8-24-17/h1-6,11H,7-10,13H2