(4-azanyl-3-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (4-azanyl-3-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (4-amino-3-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (4-amino-3-nitrophenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-amino-3-nitrophenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (4-amino-3-nitro-phenyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C18H17F3N4O5S MolecularWeight: 458.41159

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H17F3N4O5S/c19-18(20,21)13-2-1-3-14(11-13)31(29,30)24-8-6-23(7-9-24)17(26)12-4-5-15(22)16(10-12)25(27)28/h1-5,10-11H,6-9,22H2