3-[(E)-4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbut-3-en-1-ynyl]quinoline

Systemtic Name: 3-[(E)-4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbut-3-en-1-ynyl]quinoline Openeye Name: 3-[(E)-4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbut-3-en-1-ynyl]quinoline CAS Name: 3-[(E)-4-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]but-3-en-1-ynyl]quinoline IUPAC Name: 3-[(E)-4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbut-3-en-1-ynyl]quinoline Traditional Name: 3-[(E)-4-[4-(4-fluorophenyl)piperazino]sulfonylbut-3-en-1-ynyl]quinoline Formula: C23H20FN3O2S MolecularWeight: 421.487203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C=CC#CC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)/C=C/C#CC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C23H20FN3O2S/c24-21-8-10-22(11-9-21)26-12-14-27(15-13-26)30(28,29)16-4-3-5-19-17-20-6-1-2-7-23(20)25-18-19/h1-2,4,6-11,16-18H,12-15H2/b16-4+