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

Systemtic Name: 4-chloranyl-3-[[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[2-(dimethylamino)-1-methyl-2-oxo-ethyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[1-(dimethylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[[1-(dimethylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[[2-(dimethylamino)-2-keto-1-methyl-ethyl]sulfamoyl]benzoic acid Formula: C12H15ClN2O5S MolecularWeight: 334.7759

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN2O5S/c1-7(11(16)15(2)3)14-21(19,20)10-6-8(12(17)18)4-5-9(10)13/h4-7,14H,1-3H3,(H,17,18)