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

Systemtic Name: (3-nitrophenyl)-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (3-nitrophenyl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (3-nitrophenyl)-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-nitrophenyl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (3-nitrophenyl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazino]methanone Formula: C18H16F3N3O6S MolecularWeight: 459.39635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3N3O6S/c19-18(20,21)30-15-4-6-16(7-5-15)31(28,29)23-10-8-22(9-11-23)17(25)13-2-1-3-14(12-13)24(26)27/h1-7,12H,8-11H2