2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-ethanenitrile

Systemtic Name: 2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-ethanenitrile Openeye Name: 2-(3-methoxyphenyl)-2-(p-tolylsulfonyl)acetonitrile CAS Name: 2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylacetonitrile IUPAC Name: 2-(3-methoxyphenyl)-2-(4-methylphenyl)sulfonylacetonitrile Traditional Name: 2-(3-methoxyphenyl)-2-tosyl-acetonitrile Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO3S/c1-12-6-8-15(9-7-12)21(18,19)16(11-17)13-4-3-5-14(10-13)20-2/h3-10,16H,1-2H3