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

Systemtic Name: 3-methylsulfanyl-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-methylsulfanyl-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(methylthio)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-methylsulfanyl-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(methylthio)-1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazino]propan-1-one Formula: C19H30N2O3S2 MolecularWeight: 398.5831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O3S2/c1-13-14(2)16(4)19(17(5)15(13)3)26(23,24)21-10-8-20(9-11-21)18(22)7-12-25-6/h7-12H2,1-6H3