2-[2-(1,3-benzodioxol-5-yl)ethylsulfonyl]ethanenitrile

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfonyl]ethanenitrile Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfonyl]acetonitrile CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfonyl]acetonitrile IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfonyl]acetonitrile Traditional Name: 2-homopiperonylsulfonylacetonitrile Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCS(=O)(=O)CC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCS(=O)(=O)CC#N

InChI

InChI=1S/C11H11NO4S/c12-4-6-17(13,14)5-3-9-1-2-10-11(7-9)16-8-15-10/h1-2,7H,3,5-6,8H2