methyl 4-chloranyl-5-(dimethylsulfamoyl)-2-ethynyl-benzoate

Systemtic Name: methyl 4-chloranyl-5-(dimethylsulfamoyl)-2-ethynyl-benzoate Openeye Name: methyl 4-chloro-5-(dimethylsulfamoyl)-2-ethynyl-benzoate CAS Name: 4-chloro-5-(dimethylsulfamoyl)-2-ethynylbenzoic acid methyl ester IUPAC Name: methyl 4-chloro-5-(dimethylsulfamoyl)-2-ethynylbenzoate Traditional Name: 4-chloro-5-(dimethylsulfamoyl)-2-ethynyl-benzoic acid methyl ester Formula: C12H12ClNO4S MolecularWeight: 301.74598

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)OC)C#C)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=C(C(=C1)C(=O)OC)C#C)Cl

InChI

InChI=1S/C12H12ClNO4S/c1-5-8-6-10(13)11(19(16,17)14(2)3)7-9(8)12(15)18-4/h1,6-7H,2-4H3