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

Systemtic Name: tert-butyl 4-[3-[3,5-bis(trifluoromethyl)phenyl]propanoylsulfamoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[3,5-bis(trifluoromethyl)phenyl]propanoylsulfamoyl]piperazine-1-carboxylate CAS Name: 4-[[3-[3,5-bis(trifluoromethyl)phenyl]-1-oxopropyl]sulfamoyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[3,5-bis(trifluoromethyl)phenyl]propanoylsulfamoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[3,5-bis(trifluoromethyl)phenyl]propanoylsulfamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H25F6N3O5S MolecularWeight: 533.485019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)NC(=O)CCC2=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)CCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H25F6N3O5S/c1-18(2,3)34-17(31)28-6-8-29(9-7-28)35(32,33)27-16(30)5-4-13-10-14(19(21,22)23)12-15(11-13)20(24,25)26/h10-12H,4-9H2,1-3H3,(H,27,30)