3-[[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfamoyl]benzoic acid

Systemtic Name: 3-[[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfamoyl]benzoic acid Openeye Name: 3-[[2-(dimethylamino)-1-methyl-2-oxo-ethyl]sulfamoyl]benzoic acid CAS Name: 3-[[1-(dimethylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid IUPAC Name: 3-[[1-(dimethylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid Traditional Name: 3-[[2-(dimethylamino)-2-keto-1-methyl-ethyl]sulfamoyl]benzoic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CC(C(=O)N(C)C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C12H16N2O5S/c1-8(11(15)14(2)3)13-20(18,19)10-6-4-5-9(7-10)12(16)17/h4-8,13H,1-3H3,(H,16,17)