1-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-3-methylsulfanyl-propan-1-one

Systemtic Name: 1-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-3-methylsulfanyl-propan-1-one Openeye Name: 1-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]-3-methylsulfanyl-propan-1-one CAS Name: 1-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]-3-(methylthio)-1-propanone IUPAC Name: 1-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]-3-methylsulfanylpropan-1-one Traditional Name: 1-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazino]-3-(methylthio)propan-1-one Formula: C20H32N2O3S2 MolecularWeight: 412.60968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)CCSC)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)CCSC)C)C(C)(C)C

InChI

InChI=1S/C20H32N2O3S2/c1-15-13-17(20(3,4)5)14-16(2)19(15)27(24,25)22-10-8-21(9-11-22)18(23)7-12-26-6/h13-14H,7-12H2,1-6H3