3-[[(E)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]benzenesulfonic acid

Systemtic Name: 3-[[(E)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]amino]benzenesulfonic acid Openeye Name: 3-[[(E)-2-cyano-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]amino]benzenesulfonic acid CAS Name: 3-[[(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]benzenesulfonic acid IUPAC Name: 3-[[(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]benzenesulfonic acid Traditional Name: 3-[[(E)-2-cyano-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]amino]besylic acid Formula: C17H14N2O6S MolecularWeight: 374.36786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC(=CC=C2)S(=O)(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)S(=O)(=O)O)O

InChI

InChI=1S/C17H14N2O6S/c1-25-16-8-11(5-6-15(16)20)7-12(10-18)17(21)19-13-3-2-4-14(9-13)26(22,23)24/h2-9,20H,1H3,(H,19,21)(H,22,23,24)/b12-7+