(E)-1-(4-fluorophenyl)-3-piperazin-1-yl-prop-2-ene-1-sulfinic acid

Systemtic Name: (E)-1-(4-fluorophenyl)-3-piperazin-1-yl-prop-2-ene-1-sulfinic acid Openeye Name: (E)-1-(4-fluorophenyl)-3-piperazin-1-yl-prop-2-ene-1-sulfinic acid CAS Name: (E)-1-(4-fluorophenyl)-3-(1-piperazinyl)-2-propene-1-sulfinic acid IUPAC Name: (E)-1-(4-fluorophenyl)-3-piperazin-1-ylprop-2-ene-1-sulfinic acid Traditional Name: (E)-1-(4-fluorophenyl)-3-piperazino-prop-2-ene-1-sulfinic acid Formula: C13H17FN2O2S MolecularWeight: 284.349683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C=CC(C2=CC=C(C=C2)F)S(=O)O

Isomeric SMILES

C1CN(CCN1)/C=C/C(C2=CC=C(C=C2)F)S(=O)O

InChI

InChI=1S/C13H17FN2O2S/c14-12-3-1-11(2-4-12)13(19(17)18)5-8-16-9-6-15-7-10-16/h1-5,8,13,15H,6-7,9-10H2,(H,17,18)/b8-5+