4-chloranyl-3-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]sulfamoyl]benzoate

Systemtic Name: 4-chloranyl-3-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]sulfamoyl]benzoate Openeye Name: 4-chloro-3-[[(1S)-1-[(4-hydroxyphenyl)methyl]-2-oxido-2-oxo-ethyl]sulfamoyl]benzoate CAS Name: 4-chloro-3-[[(2S)-3-(4-hydroxyphenyl)-1-oxido-1-oxopropan-2-yl]sulfamoyl]benzoate IUPAC Name: 4-chloro-3-[[(2S)-3-(4-hydroxyphenyl)-1-oxido-1-oxopropan-2-yl]sulfamoyl]benzoate Traditional Name: 4-chloro-3-[[(1S)-1-(4-hydroxybenzyl)-2-keto-2-oxido-ethyl]sulfamoyl]benzoate Formula: C16H12ClNO7S-2 MolecularWeight: 397.78698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])Cl)O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])Cl)O

InChI

InChI=1S/C16H14ClNO7S/c17-12-6-3-10(15(20)21)8-14(12)26(24,25)18-13(16(22)23)7-9-1-4-11(19)5-2-9/h1-6,8,13,18-19H,7H2,(H,20,21)(H,22,23)/p-2/t13-/m0/s1