5-[4-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]phenyl]-3-ethyl-4-methoxy-2-sulfamoyl-benzoic acid

Systemtic Name: 5-[4-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]phenyl]-3-ethyl-4-methoxy-2-sulfamoyl-benzoic acid Openeye Name: 5-[4-[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]phenyl]-3-ethyl-4-methoxy-2-sulfamoyl-benzoic acid CAS Name: 5-[4-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]phenyl]-3-ethyl-4-methoxy-2-sulfamoylbenzoic acid IUPAC Name: 5-[4-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]phenyl]-3-ethyl-4-methoxy-2-sulfamoylbenzoic acid Traditional Name: 5-[4-[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]phenyl]-3-ethyl-4-methoxy-2-sulfamoyl-benzoic acid Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1S(=O)(=O)N)C(=O)O)C2=CC=C(C=C2)C(=CC(=O)OCC)C)OC

Isomeric SMILES

CCC1=C(C(=CC(=C1S(=O)(=O)N)C(=O)O)C2=CC=C(C=C2)/C(=C/C(=O)OCC)/C)OC

InChI

InChI=1S/C22H25NO7S/c1-5-16-20(29-4)17(12-18(22(25)26)21(16)31(23,27)28)15-9-7-14(8-10-15)13(3)11-19(24)30-6-2/h7-12H,5-6H2,1-4H3,(H,25,26)(H2,23,27,28)/b13-11+