(E)-3-(3,5-dimethoxyphenyl)-2-(phenylmethyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3,5-dimethoxyphenyl)-2-(phenylmethyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-2-benzylsulfonyl-3-(3,5-dimethoxyphenyl)prop-2-enenitrile CAS Name: (E)-3-(3,5-dimethoxyphenyl)-2-(phenylmethyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-2-benzylsulfonyl-3-(3,5-dimethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-benzylsulfonyl-3-(3,5-dimethoxyphenyl)acrylonitrile Formula: C18H17NO4S MolecularWeight: 343.39688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO4S/c1-22-16-8-15(9-17(11-16)23-2)10-18(12-19)24(20,21)13-14-6-4-3-5-7-14/h3-11H,13H2,1-2H3/b18-10+