5-(dimethylsulfamoyl)-2-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 5-(dimethylsulfamoyl)-2-(phenylmethylsulfanyl)benzoic acid Openeye Name: 2-benzylsulfanyl-5-(dimethylsulfamoyl)benzoic acid CAS Name: 5-(dimethylsulfamoyl)-2-(phenylmethylthio)benzoic acid IUPAC Name: 2-benzylsulfanyl-5-(dimethylsulfamoyl)benzoic acid Traditional Name: 2-(benzylthio)-5-(dimethylsulfamoyl)benzoic acid Formula: C16H17NO4S2 MolecularWeight: 351.44048

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)SCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H17NO4S2/c1-17(2)23(20,21)13-8-9-15(14(10-13)16(18)19)22-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,19)