1-[(5-chloranylthiophen-2-yl)methyl]-4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazine

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)methyl]-4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazine Openeye Name: 1-[(5-chloro-2-thienyl)methyl]-4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazine CAS Name: 1-[(5-chloro-2-thiophenyl)methyl]-4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazine IUPAC Name: 1-[(5-chlorothiophen-2-yl)methyl]-4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazine Traditional Name: 1-[(5-chloro-2-thienyl)methyl]-4-(2-nitro-4-triflyl-phenyl)piperazine Formula: C16H15ClF3N3O4S2 MolecularWeight: 469.88621

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)C3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)C3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClF3N3O4S2/c17-15-4-1-11(28-15)10-21-5-7-22(8-6-21)13-3-2-12(9-14(13)23(24)25)29(26,27)16(18,19)20/h1-4,9H,5-8,10H2