4-[[1-(4-ethoxy-3-methoxy-phenyl)-3-oxidanyl-3-oxidanylidene-propyl]sulfamoyl]benzoic acid

Systemtic Name: 4-[[1-(4-ethoxy-3-methoxy-phenyl)-3-oxidanyl-3-oxidanylidene-propyl]sulfamoyl]benzoic acid Openeye Name: 4-[[1-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-3-oxo-propyl]sulfamoyl]benzoic acid CAS Name: 4-[[1-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-3-oxopropyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[1-(4-ethoxy-3-methoxyphenyl)-3-hydroxy-3-oxopropyl]sulfamoyl]benzoic acid Traditional Name: 4-[[1-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-3-keto-propyl]sulfamoyl]benzoic acid Formula: C19H21NO8S MolecularWeight: 423.43694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O)OC

InChI

InChI=1S/C19H21NO8S/c1-3-28-16-9-6-13(10-17(16)27-2)15(11-18(21)22)20-29(25,26)14-7-4-12(5-8-14)19(23)24/h4-10,15,20H,3,11H2,1-2H3,(H,21,22)(H,23,24)