3-methylsulfanyl-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-methylsulfanyl-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-methylsulfanyl-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(methylthio)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-methylsulfanyl-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(methylthio)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]propan-1-one Formula: C18H28N2O3S2 MolecularWeight: 384.55652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)CCSC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=O)CCSC)C)C

InChI

InChI=1S/C18H28N2O3S2/c1-13-12-14(2)16(4)18(15(13)3)25(22,23)20-9-7-19(8-10-20)17(21)6-11-24-5/h12H,6-11H2,1-5H3