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

Systemtic Name: 1-(2,5-dimethylphenoxy)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol Openeye Name: 1-(2,5-dimethylphenoxy)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol CAS Name: 1-(2,5-dimethylphenoxy)-3-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-propanol IUPAC Name: 1-(2,5-dimethylphenoxy)-3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-2-ol Traditional Name: 1-(2,5-dimethylphenoxy)-3-[4-(3-fluorophenyl)sulfonylpiperazino]propan-2-ol Formula: C21H27FN2O4S MolecularWeight: 422.513483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)O

InChI

InChI=1S/C21H27FN2O4S/c1-16-6-7-17(2)21(12-16)28-15-19(25)14-23-8-10-24(11-9-23)29(26,27)20-5-3-4-18(22)13-20/h3-7,12-13,19,25H,8-11,14-15H2,1-2H3