ethyl 4-[[(E)-3-[2-(4-acetamidophenyl)sulfonyloxyphenyl]-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-3-[2-(4-acetamidophenyl)sulfonyloxyphenyl]-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-3-[2-(4-acetamidophenyl)sulfonyloxyphenyl]-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-[2-(4-acetamidophenyl)sulfonyloxyphenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-[2-(4-acetamidophenyl)sulfonyloxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-[2-(4-acetamidophenyl)sulfonyloxyphenyl]-2-cyano-acryloyl]amino]benzoic acid ethyl ester Formula: C27H23N3O7S MolecularWeight: 533.55242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)NC(=O)C)/C#N

InChI

InChI=1S/C27H23N3O7S/c1-3-36-27(33)19-8-10-23(11-9-19)30-26(32)21(17-28)16-20-6-4-5-7-25(20)37-38(34,35)24-14-12-22(13-15-24)29-18(2)31/h4-16H,3H2,1-2H3,(H,29,31)(H,30,32)/b21-16+