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

Systemtic Name: 3-[[(E)-2-cyano-3-[3-methoxy-2-(4-methylphenyl)sulfonyloxy-phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[(E)-2-cyano-3-[3-methoxy-2-(p-tolylsulfonyloxy)phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[(E)-2-cyano-3-[3-methoxy-2-(4-methylphenyl)sulfonyloxyphenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(E)-2-cyano-3-[3-methoxy-2-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[(E)-2-cyano-3-(3-methoxy-2-tosyloxy-phenyl)acryloyl]amino]benzoic acid Formula: C25H20N2O7S MolecularWeight: 492.5005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)/C=C(\C#N)/C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C25H20N2O7S/c1-16-9-11-21(12-10-16)35(31,32)34-23-17(5-4-8-22(23)33-2)13-19(15-26)24(28)27-20-7-3-6-18(14-20)25(29)30/h3-14H,1-2H3,(H,27,28)(H,29,30)/b19-13+