1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine CAS Name: 1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-4-[3-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine Formula: C21H23F3N4O4S MolecularWeight: 484.49193

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H23F3N4O4S/c22-21(23,24)16-4-3-5-17(14-16)25-10-12-26(13-11-25)19-7-6-18(15-20(19)28(29)30)33(31,32)27-8-1-2-9-27/h3-7,14-15H,1-2,8-13H2