4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-pentyl-piperazine-1-carboxamide

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-pentyl-piperazine-1-carboxamide Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-pentyl-piperazine-1-carboxamide CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-pentyl-1-piperazinecarboxamide IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-pentylpiperazine-1-carboxamide Traditional Name: N-amyl-4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carboxamide Formula: C18H23F6N3O3S MolecularWeight: 475.448939

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCCCCNC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H23F6N3O3S/c1-2-3-4-5-25-16(28)26-6-8-27(9-7-26)31(29,30)15-11-13(17(19,20)21)10-14(12-15)18(22,23)24/h10-12H,2-9H2,1H3,(H,25,28)