2-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-ethanenitrile

Systemtic Name: 2-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-ethanenitrile Openeye Name: 2-(2,3-dimethoxyphenyl)-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylacetonitrile IUPAC Name: 2-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylacetonitrile Traditional Name: 2-(2,3-dimethoxyphenyl)-2-tosyl-acetonitrile Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4S/c1-12-7-9-13(10-8-12)23(19,20)16(11-18)14-5-4-6-15(21-2)17(14)22-3/h4-10,16H,1-3H3