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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-chloranyl-5-(trifluoromethyl)phenyl]sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazine Traditional Name: 1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-4-piperonyl-piperazine Formula: C19H18ClF3N2O4S MolecularWeight: 462.87043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClF3N2O4S/c20-15-3-2-14(19(21,22)23)10-18(15)30(26,27)25-7-5-24(6-8-25)11-13-1-4-16-17(9-13)29-12-28-16/h1-4,9-10H,5-8,11-12H2