2-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazino]sulfonylbenzonitrile Formula: C18H15ClF3N3O4S2 MolecularWeight: 493.90761

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H15ClF3N3O4S2/c19-16-6-5-14(11-15(16)18(20,21)22)30(26,27)24-7-9-25(10-8-24)31(28,29)17-4-2-1-3-13(17)12-23/h1-6,11H,7-10H2