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

Systemtic Name: (4-chloranyl-2-propanoyl-phenyl) 3-(cyclopropylsulfamoyl)benzenesulfonate Openeye Name: (4-chloro-2-propanoyl-phenyl) 3-(cyclopropylsulfamoyl)benzenesulfonate CAS Name: 3-(cyclopropylsulfamoyl)benzenesulfonic acid [4-chloro-2-(1-oxopropyl)phenyl] ester IUPAC Name: (4-chloro-2-propanoylphenyl) 3-(cyclopropylsulfamoyl)benzenesulfonate Traditional Name: 3-(cyclopropylsulfamoyl)benzenesulfonic acid (4-chloro-2-propionyl-phenyl) ester Formula: C18H18ClNO6S2 MolecularWeight: 443.92162

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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)NC3CC3

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)NC3CC3

InChI

InChI=1S/C18H18ClNO6S2/c1-2-17(21)16-10-12(19)6-9-18(16)26-28(24,25)15-5-3-4-14(11-15)27(22,23)20-13-7-8-13/h3-6,9-11,13,20H,2,7-8H2,1H3