1-[(E)-4-(1,3-benzodioxol-5-yl)but-1-en-3-ynyl]sulfonyl-4-(4-fluorophenyl)piperazine

Systemtic Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)but-1-en-3-ynyl]sulfonyl-4-(4-fluorophenyl)piperazine Openeye Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)but-1-en-3-ynyl]sulfonyl-4-(4-fluorophenyl)piperazine CAS Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)but-1-en-3-ynyl]sulfonyl-4-(4-fluorophenyl)piperazine IUPAC Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)but-1-en-3-ynyl]sulfonyl-4-(4-fluorophenyl)piperazine Traditional Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)but-1-en-3-ynyl]sulfonyl-4-(4-fluorophenyl)piperazine Formula: C21H19FN2O4S MolecularWeight: 414.449963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)C=CC#CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)S(=O)(=O)/C=C/C#CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19FN2O4S/c22-18-5-7-19(8-6-18)23-10-12-24(13-11-23)29(25,26)14-2-1-3-17-4-9-20-21(15-17)28-16-27-20/h2,4-9,14-15H,10-13,16H2/b14-2+