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

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(4-benzoxy-3-bromo-5-methoxy-phenyl)-2-tosyl-acrylonitrile Formula: C24H20BrNO4S MolecularWeight: 498.3889

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)OCC3=CC=CC=C3)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC)C#N

InChI

InChI=1S/C24H20BrNO4S/c1-17-8-10-20(11-9-17)31(27,28)21(15-26)12-19-13-22(25)24(23(14-19)29-2)30-16-18-6-4-3-5-7-18/h3-14H,16H2,1-2H3