ethyl 3-[[(E)-2-(4-tert-butylphenyl)sulfonyl-2-cyano-ethenyl]amino]benzoate

Systemtic Name: ethyl 3-[[(E)-2-(4-tert-butylphenyl)sulfonyl-2-cyano-ethenyl]amino]benzoate Openeye Name: ethyl 3-[[(E)-2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoate CAS Name: 3-[[(E)-2-(4-tert-butylphenyl)sulfonyl-2-cyanoethenyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(E)-2-(4-tert-butylphenyl)sulfonyl-2-cyanoethenyl]amino]benzoate Traditional Name: 3-[[(E)-2-(4-tert-butylphenyl)sulfonyl-2-cyano-vinyl]amino]benzoic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-5-28-21(25)16-7-6-8-18(13-16)24-15-20(14-23)29(26,27)19-11-9-17(10-12-19)22(2,3)4/h6-13,15,24H,5H2,1-4H3/b20-15+