1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-(2-phenylsulfanylethyl)piperazine

Systemtic Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-(2-phenylsulfanylethyl)piperazine Openeye Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-(2-phenylsulfanylethyl)piperazine CAS Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-[2-(phenylthio)ethyl]piperazine IUPAC Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-(2-phenylsulfanylethyl)piperazine Traditional Name: 1-(2-nitro-4-triflyl-phenyl)-4-[2-(phenylthio)ethyl]piperazine Formula: C19H20F3N3O4S2 MolecularWeight: 475.50501

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCSC2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCSC2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H20F3N3O4S2/c20-19(21,22)31(28,29)16-6-7-17(18(14-16)25(26)27)24-10-8-23(9-11-24)12-13-30-15-4-2-1-3-5-15/h1-7,14H,8-13H2