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

Systemtic Name: 4-[[4-oxidanyl-3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-naphthalen-1-yl]sulfamoyl]benzoic acid Openeye Name: 4-[[4-hydroxy-3-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-1-naphthyl]sulfamoyl]benzoic acid CAS Name: 4-[[4-hydroxy-3-[(1-hydroxy-1-oxopropan-2-yl)thio]-1-naphthalenyl]sulfamoyl]benzoic acid IUPAC Name: 4-[[4-hydroxy-3-(1-hydroxy-1-oxopropan-2-yl)sulfanylnaphthalen-1-yl]sulfamoyl]benzoic acid Traditional Name: 4-[[4-hydroxy-3-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-1-naphthyl]sulfamoyl]benzoic acid Formula: C20H17NO7S2 MolecularWeight: 447.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C2=CC=CC=C2C(=C1)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

CC(C(=O)O)SC1=C(C2=CC=CC=C2C(=C1)NS(=O)(=O)C3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C20H17NO7S2/c1-11(19(23)24)29-17-10-16(14-4-2-3-5-15(14)18(17)22)21-30(27,28)13-8-6-12(7-9-13)20(25)26/h2-11,21-22H,1H3,(H,23,24)(H,25,26)