N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-3-oxopropyl]benzenesulfonamide IUPAC Name: N-[3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: N-[3-keto-3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]propyl]benzenesulfonamide Formula: C20H21F3N4O5S MolecularWeight: 486.46475

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21F3N4O5S/c21-20(22,23)15-6-7-17(18(14-15)27(29)30)25-10-12-26(13-11-25)19(28)8-9-24-33(31,32)16-4-2-1-3-5-16/h1-7,14,24H,8-13H2