3-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C19H15ClF3N3O3S MolecularWeight: 457.85391

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC(=C2)C#N)S(=O)(=O)C3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C19H15ClF3N3O3S/c20-16-5-4-15(19(21,22)23)11-17(16)30(28,29)26-8-6-25(7-9-26)18(27)14-3-1-2-13(10-14)12-24/h1-5,10-11H,6-9H2