2,4-dimethoxy-6-(phenylmethyl)sulfonyl-benzenecarbonitrile

Systemtic Name: 2,4-dimethoxy-6-(phenylmethyl)sulfonyl-benzenecarbonitrile Openeye Name: 2-benzylsulfonyl-4,6-dimethoxy-benzonitrile CAS Name: 2,4-dimethoxy-6-(phenylmethyl)sulfonylbenzonitrile IUPAC Name: 2-benzylsulfonyl-4,6-dimethoxybenzonitrile Traditional Name: 2-benzylsulfonyl-4,6-dimethoxy-benzonitrile Formula: C16H15NO4S MolecularWeight: 317.3596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)S(=O)(=O)CC2=CC=CC=C2)C#N)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)S(=O)(=O)CC2=CC=CC=C2)C#N)OC

InChI

InChI=1S/C16H15NO4S/c1-20-13-8-15(21-2)14(10-17)16(9-13)22(18,19)11-12-6-4-3-5-7-12/h3-9H,11H2,1-2H3