4-[[4-[(E)-3-(4-cyanophenyl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[4-[(E)-3-(4-cyanophenyl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[4-[(E)-3-(4-cyanophenyl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[4-[(E)-3-(4-cyanophenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[4-[(E)-3-(4-cyanophenyl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[4-[(E)-3-(4-cyanophenyl)acryloyl]phenyl]sulfonylamino]benzoic acid Formula: C23H16N2O5S MolecularWeight: 432.44854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H16N2O5S/c24-15-17-3-1-16(2-4-17)5-14-22(26)18-8-12-21(13-9-18)31(29,30)25-20-10-6-19(7-11-20)23(27)28/h1-14,25H,(H,27,28)/b14-5+