3-[[2-[[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]amino]phenyl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[2-[[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]amino]phenyl]sulfamoyl]benzoic acid Openeye Name: 3-[[2-[[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]amino]phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[2-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]phenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[[2-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]phenyl]sulfamoyl]benzoic acid Traditional Name: 3-[[2-[[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]amino]phenyl]sulfamoyl]benzoic acid Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)O)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)O)/C#N

InChI

InChI=1S/C19H17N3O6S/c1-2-28-19(25)14(11-20)12-21-16-8-3-4-9-17(16)22-29(26,27)15-7-5-6-13(10-15)18(23)24/h3-10,12,21-22H,2H2,1H3,(H,23,24)/b14-12+