3-(4-methoxyphenyl)-2-(phenylmethyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-(4-methoxyphenyl)-2-(phenylmethyl)sulfonyl-prop-2-enenitrile Openeye Name: 2-benzylsulfonyl-3-(4-methoxyphenyl)prop-2-enenitrile CAS Name: 3-(4-methoxyphenyl)-2-(phenylmethyl)sulfonyl-2-propenenitrile IUPAC Name: 2-benzylsulfonyl-3-(4-methoxyphenyl)prop-2-enenitrile Traditional Name: 2-benzylsulfonyl-3-(4-methoxyphenyl)acrylonitrile Formula: C17H15NO3S MolecularWeight: 313.3709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO3S/c1-21-16-9-7-14(8-10-16)11-17(12-18)22(19,20)13-15-5-3-2-4-6-15/h2-11H,13H2,1H3