1-(4-butylphenyl)sulfonyl-4-ethanoyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide

Systemtic Name: 1-(4-butylphenyl)sulfonyl-4-ethanoyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide Openeye Name: 4-acetyl-1-(4-butylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide CAS Name: 4-acetyl-1-(4-butylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]-2-piperazinecarboxamide IUPAC Name: 4-acetyl-1-(4-butylphenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide Traditional Name: 4-acetyl-1-(4-butylphenyl)sulfonyl-N-[4-(trifluoromethyl)benzyl]piperazine-2-carboxamide Formula: C25H30F3N3O4S MolecularWeight: 525.58361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NCC3=CC=C(C=C3)C(F)(F)F)C(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NCC3=CC=C(C=C3)C(F)(F)F)C(=O)C

InChI

InChI=1S/C25H30F3N3O4S/c1-3-4-5-19-8-12-22(13-9-19)36(34,35)31-15-14-30(18(2)32)17-23(31)24(33)29-16-20-6-10-21(11-7-20)25(26,27)28/h6-13,23H,3-5,14-17H2,1-2H3,(H,29,33)