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

Systemtic Name: 4-chloranyl-3-[(3-methoxy-3-oxidanylidene-1-phenyl-propyl)sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[(3-methoxy-3-oxo-1-phenyl-propyl)sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[(3-methoxy-3-oxo-1-phenylpropyl)sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[(3-methoxy-3-oxo-1-phenylpropyl)sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[(3-keto-3-methoxy-1-phenyl-propyl)sulfamoyl]benzoic acid Formula: C17H16ClNO6S MolecularWeight: 397.83004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO6S/c1-25-16(20)10-14(11-5-3-2-4-6-11)19-26(23,24)15-9-12(17(21)22)7-8-13(15)18/h2-9,14,19H,10H2,1H3,(H,21,22)