tert-butyl 4-[[3,5-bis(trifluoromethyl)phenyl]carbonylsulfamoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3,5-bis(trifluoromethyl)phenyl]carbonylsulfamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[3,5-bis(trifluoromethyl)benzoyl]sulfamoyl]piperazine-1-carboxylate CAS Name: 4-[[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]sulfamoyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3,5-bis(trifluoromethyl)benzoyl]sulfamoyl]piperazine-1-carboxylate Traditional Name: 4-[[3,5-bis(trifluoromethyl)benzoyl]sulfamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H21F6N3O5S MolecularWeight: 505.431859

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H21F6N3O5S/c1-16(2,3)32-15(29)26-4-6-27(7-5-26)33(30,31)25-14(28)11-8-12(17(19,20)21)10-13(9-11)18(22,23)24/h8-10H,4-7H2,1-3H3,(H,25,28)