(E)-3-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-allyloxy-3-bromo-5-methoxy-phenyl)-2-tosyl-acrylonitrile Formula: C20H18BrNO4S MolecularWeight: 448.33022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=C(C(=C2)Br)OCC=C)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrNO4S/c1-4-9-26-20-18(21)11-15(12-19(20)25-3)10-17(13-22)27(23,24)16-7-5-14(2)6-8-16/h4-8,10-12H,1,9H2,2-3H3/b17-10+