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

Systemtic Name: 4-[[(E)-2-cyano-3-[3-methoxy-4-(4-methoxyphenyl)sulfonyloxy-phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-[3-methoxy-4-(4-methoxyphenyl)sulfonyloxy-phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-[3-methoxy-4-(4-methoxyphenyl)sulfonyloxyphenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-[3-methoxy-4-(4-methoxyphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-[3-methoxy-4-(4-methoxyphenyl)sulfonyloxy-phenyl]acryloyl]amino]benzoic acid Formula: C25H20N2O8S MolecularWeight: 508.4999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O8S/c1-33-20-8-10-21(11-9-20)36(31,32)35-22-12-3-16(14-23(22)34-2)13-18(15-26)24(28)27-19-6-4-17(5-7-19)25(29)30/h3-14H,1-2H3,(H,27,28)(H,29,30)/b18-13+