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

Systemtic Name: 4-[[(E)-2-cyano-3-[4-(4-methoxyphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-[4-(4-methoxyphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-[4-(4-methoxyphenyl)sulfonyloxyphenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-[4-(4-methoxyphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-[4-(4-methoxyphenyl)sulfonyloxyphenyl]acryloyl]amino]benzoic acid Formula: C24H18N2O7S MolecularWeight: 478.47392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H18N2O7S/c1-32-20-10-12-22(13-11-20)34(30,31)33-21-8-2-16(3-9-21)14-18(15-25)23(27)26-19-6-4-17(5-7-19)24(28)29/h2-14H,1H3,(H,26,27)(H,28,29)/b18-14+