4-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]benzenesulfonamide

Systemtic Name: 4-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]benzenesulfonamide CAS Name: 4-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]benzenesulfonamide Traditional Name: 4-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethoxy]benzenesulfonamide Formula: C19H21F3N4O5S MolecularWeight: 474.45405

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=C(C=C2)S(=O)(=O)N)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCOC2=CC=C(C=C2)S(=O)(=O)N)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H21F3N4O5S/c20-19(21,22)14-1-6-17(18(13-14)26(27)28)25-9-7-24(8-10-25)11-12-31-15-2-4-16(5-3-15)32(23,29)30/h1-6,13H,7-12H2,(H2,23,29,30)