4-[4-chloranyl-3-(dimethylsulfamoyl)-5-oxidanylidene-cyclohexa-1,3-dien-1-yl]butanoic acid

Systemtic Name: 4-[4-chloranyl-3-(dimethylsulfamoyl)-5-oxidanylidene-cyclohexa-1,3-dien-1-yl]butanoic acid Openeye Name: 4-[4-chloro-3-(dimethylsulfamoyl)-5-oxo-cyclohexa-1,3-dien-1-yl]butanoic acid CAS Name: 4-[4-chloro-3-(dimethylsulfamoyl)-5-oxo-1-cyclohexa-1,3-dienyl]butanoic acid IUPAC Name: 4-[4-chloro-3-(dimethylsulfamoyl)-5-oxocyclohexa-1,3-dien-1-yl]butanoic acid Traditional Name: 4-[4-chloro-3-(dimethylsulfamoyl)-5-keto-cyclohexa-1,3-dien-1-yl]butyric acid Formula: C12H16ClNO5S MolecularWeight: 321.77714

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C(=O)CC(=C1)CCCC(=O)O)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C(=O)CC(=C1)CCCC(=O)O)Cl

InChI

InChI=1S/C12H16ClNO5S/c1-14(2)20(18,19)10-7-8(4-3-5-11(16)17)6-9(15)12(10)13/h7H,3-6H2,1-2H3,(H,16,17)