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

Systemtic Name: 4-chloranyl-3-[(3-oxidanylidene-1-phenyl-3-propan-2-yloxy-propyl)sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[(3-isopropoxy-3-oxo-1-phenyl-propyl)sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[(3-oxo-1-phenyl-3-propan-2-yloxypropyl)sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[(3-isopropoxy-3-keto-1-phenyl-propyl)sulfamoyl]benzoic acid Formula: C19H20ClNO6S MolecularWeight: 425.8832

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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=CC(=C2)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO6S/c1-12(2)27-18(22)11-16(13-6-4-3-5-7-13)21-28(25,26)17-10-14(19(23)24)8-9-15(17)20/h3-10,12,16,21H,11H2,1-2H3,(H,23,24)