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

Systemtic Name: (phenylmethyl) 4-[[3,5-bis(trifluoromethyl)phenyl]carbonylsulfamoyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[[3,5-bis(trifluoromethyl)benzoyl]sulfamoyl]piperazine-1-carboxylate CAS Name: 4-[[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]sulfamoyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[3,5-bis(trifluoromethyl)benzoyl]sulfamoyl]piperazine-1-carboxylate Traditional Name: 4-[[3,5-bis(trifluoromethyl)benzoyl]sulfamoyl]piperazine-1-carboxylic acid benzyl ester Formula: C21H19F6N3O5S MolecularWeight: 539.448079

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)OCC2=CC=CC=C2)S(=O)(=O)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)OCC2=CC=CC=C2)S(=O)(=O)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H19F6N3O5S/c22-20(23,24)16-10-15(11-17(12-16)21(25,26)27)18(31)28-36(33,34)30-8-6-29(7-9-30)19(32)35-13-14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2,(H,28,31)