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

Systemtic Name: 2,4-bis(chloranyl)-5-[(3-methoxy-3-oxidanylidene-1-phenyl-propyl)sulfamoyl]benzoic acid Openeye Name: 2,4-dichloro-5-[(3-methoxy-3-oxo-1-phenyl-propyl)sulfamoyl]benzoic acid CAS Name: 2,4-dichloro-5-[(3-methoxy-3-oxo-1-phenylpropyl)sulfamoyl]benzoic acid IUPAC Name: 2,4-dichloro-5-[(3-methoxy-3-oxo-1-phenylpropyl)sulfamoyl]benzoic acid Traditional Name: 2,4-dichloro-5-[(3-keto-3-methoxy-1-phenyl-propyl)sulfamoyl]benzoic acid Formula: C17H15Cl2NO6S MolecularWeight: 432.2751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15Cl2NO6S/c1-26-16(21)9-14(10-5-3-2-4-6-10)20-27(24,25)15-7-11(17(22)23)12(18)8-13(15)19/h2-8,14,20H,9H2,1H3,(H,22,23)