3-nitro-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzenesulfonamide

Systemtic Name: 3-nitro-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzenesulfonamide Openeye Name: 3-nitro-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzenesulfonamide CAS Name: 3-nitro-4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: 3-nitro-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzenesulfonamide Traditional Name: 3-nitro-4-[4-[3-(trifluoromethyl)phenyl]piperazino]benzenesulfonamide Formula: C17H17F3N4O4S MolecularWeight: 430.40149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17F3N4O4S/c18-17(19,20)12-2-1-3-13(10-12)22-6-8-23(9-7-22)15-5-4-14(29(21,27)28)11-16(15)24(25)26/h1-5,10-11H,6-9H2,(H2,21,27,28)