4-(4-methylphenyl)sulfonyl-N1-phenethyl-N3-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,3-dicarboxamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N1-phenethyl-N3-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,3-dicarboxamide Openeye Name: N1-phenethyl-4-(p-tolylsulfonyl)-N3-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,3-dicarboxamide CAS Name: 4-(4-methylphenyl)sulfonyl-N1-phenethyl-N3-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,3-dicarboxamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-1-N-phenethyl-3-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,3-dicarboxamide Traditional Name: N-phenethyl-4-tosyl-N'-[2-(trifluoromethyl)benzyl]piperazine-1,3-dicarboxamide Formula: C29H31F3N4O4S MolecularWeight: 588.64105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NCC3=CC=CC=C3C(F)(F)F)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NCC3=CC=CC=C3C(F)(F)F)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C29H31F3N4O4S/c1-21-11-13-24(14-12-21)41(39,40)36-18-17-35(28(38)33-16-15-22-7-3-2-4-8-22)20-26(36)27(37)34-19-23-9-5-6-10-25(23)29(30,31)32/h2-14,26H,15-20H2,1H3,(H,33,38)(H,34,37)