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8-nitro-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]isoquinoline

8-nitro-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]isoquinoline

Systemtic Name:8-nitro-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]isoquinoline
Openeye Name:8-nitro-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]isoquinoline
CAS Name:8-nitro-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]isoquinoline
IUPAC Name:8-nitro-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]isoquinoline
Traditional Name:8-nitro-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]isoquinoline
Formula: C20H17F3N4O4S
MolecularWeight: 466.43359
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F


Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F


InChI

InChI=1S/C20H17F3N4O4S/c21-20(22,23)14-2-1-3-15(12-14)32(30,31)26-10-8-25(9-11-26)18-4-5-19(27(28)29)17-13-24-7-6-16(17)18/h1-7,12-13H,8-11H2


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