1-(4-fluorophenyl)-4-[(E)-4-pyridin-3-ylbut-1-en-3-ynyl]sulfonyl-piperazine

Systemtic Name: 1-(4-fluorophenyl)-4-[(E)-4-pyridin-3-ylbut-1-en-3-ynyl]sulfonyl-piperazine Openeye Name: 1-(4-fluorophenyl)-4-[(E)-4-(3-pyridyl)but-1-en-3-ynyl]sulfonyl-piperazine CAS Name: 1-(4-fluorophenyl)-4-[(E)-4-(3-pyridinyl)but-1-en-3-ynyl]sulfonylpiperazine IUPAC Name: 1-(4-fluorophenyl)-4-[(E)-4-pyridin-3-ylbut-1-en-3-ynyl]sulfonylpiperazine Traditional Name: 1-(4-fluorophenyl)-4-[(E)-4-(3-pyridyl)but-1-en-3-ynyl]sulfonyl-piperazine Formula: C19H18FN3O2S MolecularWeight: 371.428523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18FN3O2S/c20-18-6-8-19(9-7-18)22-11-13-23(14-12-22)26(24,25)15-2-1-4-17-5-3-10-21-16-17/h2-3,5-10,15-16H,11-14H2/b15-2+