5-(dimethylsulfamoyl)-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid

Systemtic Name: 5-(dimethylsulfamoyl)-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid Openeye Name: 5-(dimethylsulfamoyl)-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid CAS Name: 5-(dimethylsulfamoyl)-2-[(4-nitrophenyl)methylthio]benzoic acid IUPAC Name: 5-(dimethylsulfamoyl)-2-[(4-nitrophenyl)methylsulfanyl]benzoic acid Traditional Name: 5-(dimethylsulfamoyl)-2-[(4-nitrobenzyl)thio]benzoic acid Formula: C16H16N2O6S2 MolecularWeight: 396.43804

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H16N2O6S2/c1-17(2)26(23,24)13-7-8-15(14(9-13)16(19)20)25-10-11-3-5-12(6-4-11)18(21)22/h3-9H,10H2,1-2H3,(H,19,20)