1-(1,3-benzodioxol-5-ylmethyl)-4-[2,6-bis(fluoranyl)phenyl]sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2,6-bis(fluoranyl)phenyl]sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,6-difluorophenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,6-difluorophenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,6-difluorophenyl)sulfonylpiperazine Traditional Name: 1-(2,6-difluorophenyl)sulfonyl-4-piperonyl-piperazine Formula: C18H18F2N2O4S MolecularWeight: 396.408326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=CC=C4F)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C=CC=C4F)F

InChI

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