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

Systemtic Name: 4-[[4-[(E)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[4-[(E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[4-[(E)-3-(3-hydroxy-4-methoxyphenyl)-1-oxoprop-2-enyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]phenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[4-[(E)-3-(3-hydroxy-4-methoxy-phenyl)acryloyl]phenyl]sulfonylamino]benzoic acid Formula: C23H19NO7S MolecularWeight: 453.46446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C23H19NO7S/c1-31-22-13-3-15(14-21(22)26)2-12-20(25)16-6-10-19(11-7-16)32(29,30)24-18-8-4-17(5-9-18)23(27)28/h2-14,24,26H,1H3,(H,27,28)/b12-2+