4-methoxy-3-nitro-N-[3-oxidanylidene-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide

Systemtic Name: 4-methoxy-3-nitro-N-[3-oxidanylidene-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide Openeye Name: 4-methoxy-3-nitro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide CAS Name: 4-methoxy-3-nitro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propyl]benzenesulfonamide IUPAC Name: 4-methoxy-3-nitro-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide Traditional Name: N-[3-keto-3-[4-[3-(trifluoromethyl)phenyl]piperazino]propyl]-4-methoxy-3-nitro-benzenesulfonamide Formula: C21H23F3N4O6S MolecularWeight: 516.49073

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H23F3N4O6S/c1-34-19-6-5-17(14-18(19)28(30)31)35(32,33)25-8-7-20(29)27-11-9-26(10-12-27)16-4-2-3-15(13-16)21(22,23)24/h2-6,13-14,25H,7-12H2,1H3