2-[[(E)-3-[3-bromanyl-5-ethoxy-4-(phenylsulfonyloxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid

Systemtic Name: 2-[[(E)-3-[3-bromanyl-5-ethoxy-4-(phenylsulfonyloxy)phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-3-[4-(benzenesulfonyloxy)-3-bromo-5-ethoxy-phenyl]-2-cyano-prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-3-[4-(benzenesulfonyloxy)-3-bromo-5-ethoxyphenyl]-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-3-[4-(benzenesulfonyloxy)-3-bromo-5-ethoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-3-(4-besyloxy-3-bromo-5-ethoxy-phenyl)-2-cyano-acryloyl]amino]benzoic acid Formula: C25H19BrN2O7S MolecularWeight: 571.39656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)Br)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O)Br)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H19BrN2O7S/c1-2-34-22-14-16(13-20(26)23(22)35-36(32,33)18-8-4-3-5-9-18)12-17(15-27)24(29)28-21-11-7-6-10-19(21)25(30)31/h3-14H,2H2,1H3,(H,28,29)(H,30,31)/b17-12+