1-(1,3-benzodioxol-5-ylmethyl)-4-[2,5-bis(fluoranyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2,5-bis(fluoranyl)phenyl]sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-difluorophenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-difluorophenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-difluorophenyl)sulfonylpiperazine Traditional Name: 1-(2,5-difluorophenyl)sulfonyl-4-piperonyl-piperazine Formula: C18H18F2N2O4S MolecularWeight: 396.408326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F2N2O4S/c19-14-2-3-15(20)18(10-14)27(23,24)22-7-5-21(6-8-22)11-13-1-4-16-17(9-13)26-12-25-16/h1-4,9-10H,5-8,11-12H2