4-[[4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[4-[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[4-[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]phenyl]sulfonylamino]benzoic acid Formula: C25H19N3O5S MolecularWeight: 473.50046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=CC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C/C(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H19N3O5S/c29-24(15-6-18-16-26-28(17-18)22-4-2-1-3-5-22)19-9-13-23(14-10-19)34(32,33)27-21-11-7-20(8-12-21)25(30)31/h1-17,27H,(H,30,31)/b15-6+