3-(3,4-dimethylphenyl)sulfanyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-[(3,4-dimethylphenyl)thio]-1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-[(3,4-dimethylphenyl)thio]-1-[4-(4-fluorophenyl)sulfonylpiperazino]propan-1-one Formula: C21H25FN2O3S2 MolecularWeight: 436.563203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O3S2/c1-16-3-6-19(15-17(16)2)28-14-9-21(25)23-10-12-24(13-11-23)29(26,27)20-7-4-18(22)5-8-20/h3-8,15H,9-14H2,1-2H3