2,4-bis(chloranyl)-5-[(3-oxidanylidene-1-phenyl-3-propan-2-yloxy-propyl)sulfamoyl]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[(3-oxidanylidene-1-phenyl-3-propan-2-yloxy-propyl)sulfamoyl]benzoic acid Openeye Name: 2,4-dichloro-5-[(3-isopropoxy-3-oxo-1-phenyl-propyl)sulfamoyl]benzoic acid CAS Name: 2,4-dichloro-5-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)sulfamoyl]benzoic acid IUPAC Name: 2,4-dichloro-5-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)sulfamoyl]benzoic acid Traditional Name: 2,4-dichloro-5-[(3-isopropoxy-3-keto-1-phenyl-propyl)sulfamoyl]benzoic acid Formula: C19H19Cl2NO6S MolecularWeight: 460.32826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19Cl2NO6S/c1-11(2)28-18(23)10-16(12-6-4-3-5-7-12)22-29(26,27)17-8-13(19(24)25)14(20)9-15(17)21/h3-9,11,16,22H,10H2,1-2H3,(H,24,25)