[(E)-[cyano-(3,4-dimethoxyphenyl)methylidene]amino] 2,4,6-trimethylbenzenesulfonate

Systemtic Name: [(E)-[cyano-(3,4-dimethoxyphenyl)methylidene]amino] 2,4,6-trimethylbenzenesulfonate Openeye Name: [(E)-[cyano-(3,4-dimethoxyphenyl)methylene]amino] 2,4,6-trimethylbenzenesulfonate CAS Name: 2,4,6-trimethylbenzenesulfonic acid [(E)-[cyano-(3,4-dimethoxyphenyl)methylidene]amino] ester IUPAC Name: [(E)-[cyano-(3,4-dimethoxyphenyl)methylidene]amino] 2,4,6-trimethylbenzenesulfonate Traditional Name: 2,4,6-trimethylbenzenesulfonic acid [(E)-[cyano-(3,4-dimethoxyphenyl)methylene]amino] ester Formula: C19H20N2O5S MolecularWeight: 388.4375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)ON=C(C#N)C2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5S/c1-12-8-13(2)19(14(3)9-12)27(22,23)26-21-16(11-20)15-6-7-17(24-4)18(10-15)25-5/h6-10H,1-5H3/b21-16-