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

Systemtic Name: (4-azanyl-3-nitro-phenyl)-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (4-amino-3-nitro-phenyl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (4-amino-3-nitrophenyl)-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-amino-3-nitrophenyl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (4-amino-3-nitro-phenyl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazino]methanone Formula: C18H17F3N4O6S MolecularWeight: 474.41099

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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=C(C=C3)OC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H17F3N4O6S/c19-18(20,21)31-13-2-4-14(5-3-13)32(29,30)24-9-7-23(8-10-24)17(26)12-1-6-15(22)16(11-12)25(27)28/h1-6,11H,7-10,22H2