1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-(thiophen-3-ylmethyl)piperazine

Systemtic Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-(thiophen-3-ylmethyl)piperazine Openeye Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-(3-thienylmethyl)piperazine CAS Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-(3-thiophenylmethyl)piperazine IUPAC Name: 1-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-4-(thiophen-3-ylmethyl)piperazine Traditional Name: 1-(2-nitro-4-triflyl-phenyl)-4-(3-thenyl)piperazine Formula: C16H16F3N3O4S2 MolecularWeight: 435.44115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16F3N3O4S2/c17-16(18,19)28(25,26)13-1-2-14(15(9-13)22(23)24)21-6-4-20(5-7-21)10-12-3-8-27-11-12/h1-3,8-9,11H,4-7,10H2