2-[4-[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(E)-3-(3-chloranyl-4-fluoranyl-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(E)-3-(3-chloro-4-fluoro-phenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(E)-3-(3-chloro-4-fluorophenyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(E)-3-(3-chloro-4-fluorophenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(E)-3-(3-chloro-4-fluoro-phenyl)acryloyl]piperazino]sulfonylbenzonitrile Formula: C20H17ClFN3O3S MolecularWeight: 433.883683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H17ClFN3O3S/c21-17-13-15(5-7-18(17)22)6-8-20(26)24-9-11-25(12-10-24)29(27,28)19-4-2-1-3-16(19)14-23/h1-8,13H,9-12H2/b8-6+