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

Systemtic Name: 3-(2,5-dimethylphenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(2,5-dimethylphenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(2,5-dimethylphenoxy)-1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(2,5-dimethylphenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(2,5-dimethylphenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazino]propan-1-one Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C21H25FN2O4S/c1-16-6-7-17(2)20(14-16)28-13-8-21(25)23-9-11-24(12-10-23)29(26,27)19-5-3-4-18(22)15-19/h3-7,14-15H,8-13H2,1-2H3