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2-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)sulfonyl-ethanenitrile

2-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)sulfonyl-ethanenitrile

Systemtic Name:2-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)sulfonyl-ethanenitrile
Openeye Name:2-(1,3-benzodioxol-5-yl)-2-(p-tolylsulfonyl)acetonitrile
CAS Name:2-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)sulfonylacetonitrile
IUPAC Name:2-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)sulfonylacetonitrile
Traditional Name:2-(1,3-benzodioxol-5-yl)-2-tosyl-acetonitrile
Formula: C16H13NO4S
MolecularWeight: 315.34372
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=CC3=C(C=C2)OCO3


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=CC3=C(C=C2)OCO3


InChI

InChI=1S/C16H13NO4S/c1-11-2-5-13(6-3-11)22(18,19)16(9-17)12-4-7-14-15(8-12)21-10-20-14/h2-8,16H,10H2,1H3


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