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

Systemtic Name: 4-chloranyl-3-[(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)sulfamoyl]benzoic acid Openeye Name: 3-[(1-benzyl-2-hydroxy-2-oxo-ethyl)sulfamoyl]-4-chloro-benzoic acid CAS Name: 4-chloro-3-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[(1-hydroxy-1-oxo-3-phenylpropan-2-yl)sulfamoyl]benzoic acid Traditional Name: 3-[(1-benzyl-2-hydroxy-2-keto-ethyl)sulfamoyl]-4-chloro-benzoic acid Formula: C16H14ClNO6S MolecularWeight: 383.80346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClNO6S/c17-12-7-6-11(15(19)20)9-14(12)25(23,24)18-13(16(21)22)8-10-4-2-1-3-5-10/h1-7,9,13,18H,8H2,(H,19,20)(H,21,22)