N,N-diethyl-3-nitro-4-[4-[3-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[4-[3-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[4-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[4-[3-(trifluoromethyl)benzoyl]piperazino]benzenesulfonamide Formula: C22H25F3N4O5S MolecularWeight: 514.51791

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25F3N4O5S/c1-3-28(4-2)35(33,34)18-8-9-19(20(15-18)29(31)32)26-10-12-27(13-11-26)21(30)16-6-5-7-17(14-16)22(23,24)25/h5-9,14-15H,3-4,10-13H2,1-2H3