5-(dimethylsulfamoyl)-2-(phenylmethyl)sulfonyl-benzoic acid

Systemtic Name: 5-(dimethylsulfamoyl)-2-(phenylmethyl)sulfonyl-benzoic acid Openeye Name: 2-benzylsulfonyl-5-(dimethylsulfamoyl)benzoic acid CAS Name: 5-(dimethylsulfamoyl)-2-(phenylmethyl)sulfonylbenzoic acid IUPAC Name: 2-benzylsulfonyl-5-(dimethylsulfamoyl)benzoic acid Traditional Name: 2-benzylsulfonyl-5-(dimethylsulfamoyl)benzoic acid Formula: C16H17NO6S2 MolecularWeight: 383.43928

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H17NO6S2/c1-17(2)25(22,23)13-8-9-15(14(10-13)16(18)19)24(20,21)11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,19)