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

Systemtic Name: 4-[[(E)-2-cyano-3-[3-methoxy-4-(4-methoxyphenyl)sulfonyloxy-phenyl]prop-2-enoyl]amino]benzoate Openeye Name: 4-[[(E)-2-cyano-3-[3-methoxy-4-(4-methoxyphenyl)sulfonyloxy-phenyl]prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-2-cyano-3-[3-methoxy-4-(4-methoxyphenyl)sulfonyloxyphenyl]-1-oxoprop-2-enyl]amino]benzoate IUPAC Name: 4-[[(E)-2-cyano-3-[3-methoxy-4-(4-methoxyphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-2-cyano-3-[3-methoxy-4-(4-methoxyphenyl)sulfonyloxy-phenyl]acryloyl]amino]benzoate Formula: C25H19N2O8S- MolecularWeight: 507.49196

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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)/p-1/b18-13+