2-[4-[2-(3-fluoranyl-4-methoxy-phenyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(3-fluoranyl-4-methoxy-phenyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(3-fluoro-4-methoxy-phenyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(3-fluoro-4-methoxyphenyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(3-fluoro-4-methoxy-phenyl)acetyl]piperazino]sulfonylbenzonitrile Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)F

InChI

InChI=1S/C20H20FN3O4S/c1-28-18-7-6-15(12-17(18)21)13-20(25)23-8-10-24(11-9-23)29(26,27)19-5-3-2-4-16(19)14-22/h2-7,12H,8-11,13H2,1H3