4-(2-fluorophenyl)carbonyl-1-octylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide

Systemtic Name: 4-(2-fluorophenyl)carbonyl-1-octylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide Openeye Name: 4-(2-fluorobenzoyl)-1-octylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide CAS Name: 4-[(2-fluorophenyl)-oxomethyl]-1-octylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2-piperazinecarboxamide IUPAC Name: 4-(2-fluorobenzoyl)-1-octylsulfonyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide Traditional Name: 4-(2-fluorobenzoyl)-1-octylsulfonyl-N-[2-(trifluoromethyl)benzyl]piperazine-2-carboxamide Formula: C28H35F4N3O4S MolecularWeight: 585.653813

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N1CCN(CC1C(=O)NCC2=CC=CC=C2C(F)(F)F)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCCCCCCS(=O)(=O)N1CCN(CC1C(=O)NCC2=CC=CC=C2C(F)(F)F)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C28H35F4N3O4S/c1-2-3-4-5-6-11-18-40(38,39)35-17-16-34(27(37)22-13-8-10-15-24(22)29)20-25(35)26(36)33-19-21-12-7-9-14-23(21)28(30,31)32/h7-10,12-15,25H,2-6,11,16-20H2,1H3,(H,33,36)