3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(2-chloro-6-fluoro-benzyl)piperazino]sulfonylbenzonitrile Formula: C18H17ClFN3O2S MolecularWeight: 393.862883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H17ClFN3O2S/c19-17-5-2-6-18(20)16(17)13-22-7-9-23(10-8-22)26(24,25)15-4-1-3-14(11-15)12-21/h1-6,11H,7-10,13H2