2-[[(E)-3-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-[3-(4-acetamidophenyl)sulfonyloxyphenyl]-2-cyano-acryloyl]amino]benzoic acid Formula: C25H19N3O7S MolecularWeight: 505.49926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C25H19N3O7S/c1-16(29)27-19-9-11-21(12-10-19)36(33,34)35-20-6-4-5-17(14-20)13-18(15-26)24(30)28-23-8-3-2-7-22(23)25(31)32/h2-14H,1H3,(H,27,29)(H,28,30)(H,31,32)/b18-13+