3-[[(E)-2-cyano-3-[4-(phenylsulfonyloxy)phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[(E)-2-cyano-3-[4-(phenylsulfonyloxy)phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[(E)-3-[4-(benzenesulfonyloxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[(E)-3-[4-(benzenesulfonyloxy)phenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(E)-3-[4-(benzenesulfonyloxy)phenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[(E)-3-(4-besyloxyphenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C23H16N2O6S MolecularWeight: 448.44794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C23H16N2O6S/c24-15-18(22(26)25-19-6-4-5-17(14-19)23(27)28)13-16-9-11-20(12-10-16)31-32(29,30)21-7-2-1-3-8-21/h1-14H,(H,25,26)(H,27,28)/b18-13+