1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol Openeye Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol CAS Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-2-propanol IUPAC Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol Traditional Name: 1-[4-(2-fluorophenyl)sulfonylpiperazino]-3-piperonyloxy-propan-2-ol Formula: C21H25FN2O6S MolecularWeight: 452.496403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCC2=CC3=C(C=C2)OCO3)O)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1CC(COCC2=CC3=C(C=C2)OCO3)O)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C21H25FN2O6S/c22-18-3-1-2-4-21(18)31(26,27)24-9-7-23(8-10-24)12-17(25)14-28-13-16-5-6-19-20(11-16)30-15-29-19/h1-6,11,17,25H,7-10,12-15H2