(4-chloranyl-2-propanoyl-phenyl) 3-(dimethylsulfamoyl)benzenesulfonate

Systemtic Name: (4-chloranyl-2-propanoyl-phenyl) 3-(dimethylsulfamoyl)benzenesulfonate Openeye Name: (4-chloro-2-propanoyl-phenyl) 3-(dimethylsulfamoyl)benzenesulfonate CAS Name: 3-(dimethylsulfamoyl)benzenesulfonic acid [4-chloro-2-(1-oxopropyl)phenyl] ester IUPAC Name: (4-chloro-2-propanoylphenyl) 3-(dimethylsulfamoyl)benzenesulfonate Traditional Name: 3-(dimethylsulfamoyl)benzenesulfonic acid (4-chloro-2-propionyl-phenyl) ester Formula: C17H18ClNO6S2 MolecularWeight: 431.91092

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N(C)C

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C17H18ClNO6S2/c1-4-16(20)15-10-12(18)8-9-17(15)25-27(23,24)14-7-5-6-13(11-14)26(21,22)19(2)3/h5-11H,4H2,1-3H3