1-(2-nitrophenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine

Systemtic Name: 1-(2-nitrophenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine CAS Name: 1-(2-nitrophenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-[3-(trifluoromethyl)benzyl]piperazine Formula: C18H18F3N3O4S MolecularWeight: 429.41343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N3O4S/c19-18(20,21)15-5-3-4-14(12-15)13-22-8-10-23(11-9-22)29(27,28)17-7-2-1-6-16(17)24(25)26/h1-7,12H,8-11,13H2