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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1C#N)OC)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1C#N)OC)S(=O)(=O)CC2=CC=CC=C2

InChI

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