(E)-N-(4-fluorophenyl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enamide

Systemtic Name: (E)-N-(4-fluorophenyl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]but-2-enamide Openeye Name: (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)-4-oxo-but-2-enamide CAS Name: (E)-4-[4-(benzenesulfonyl)-1-piperazinyl]-N-(4-fluorophenyl)-4-oxo-2-butenamide IUPAC Name: (E)-4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-fluorophenyl)-4-oxobut-2-enamide Traditional Name: (E)-4-(4-besylpiperazino)-N-(4-fluorophenyl)-4-keto-but-2-enamide Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC(=O)NC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C(=O)NC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20FN3O4S/c21-16-6-8-17(9-7-16)22-19(25)10-11-20(26)23-12-14-24(15-13-23)29(27,28)18-4-2-1-3-5-18/h1-11H,12-15H2,(H,22,25)/b11-10+