[4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]-pyrrolidin-1-yl-methanone CAS Name: [4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]-1-piperazinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone Traditional Name: [4-(2-nitro-4-triflyl-phenyl)piperazino]-pyrrolidino-methanone Formula: C16H19F3N4O5S MolecularWeight: 436.40607

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H19F3N4O5S/c17-16(18,19)29(27,28)12-3-4-13(14(11-12)23(25)26)20-7-9-22(10-8-20)15(24)21-5-1-2-6-21/h3-4,11H,1-2,5-10H2