1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-fluoranylphenoxy)propylsulfonyl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-fluoranylphenoxy)propylsulfonyl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-fluorophenoxy)propylsulfonyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-fluorophenoxy)propylsulfonyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-fluorophenoxy)propylsulfonyl]piperazine Traditional Name: 1-[3-(4-fluorophenoxy)propylsulfonyl]-4-piperonyl-piperazine Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)CCCOC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)CCCOC4=CC=C(C=C4)F

InChI

InChI=1S/C21H25FN2O5S/c22-18-3-5-19(6-4-18)27-12-1-13-30(25,26)24-10-8-23(9-11-24)15-17-2-7-20-21(14-17)29-16-28-20/h2-7,14H,1,8-13,15-16H2