1-[2,4-bis(fluoranyl)phenyl]sulfonyl-4-[(2-tert-butylsulfanylphenyl)methyl]piperazine

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]sulfonyl-4-[(2-tert-butylsulfanylphenyl)methyl]piperazine Openeye Name: 1-[(2-tert-butylsulfanylphenyl)methyl]-4-(2,4-difluorophenyl)sulfonyl-piperazine CAS Name: 1-[[2-(tert-butylthio)phenyl]methyl]-4-(2,4-difluorophenyl)sulfonylpiperazine IUPAC Name: 1-[(2-tert-butylsulfanylphenyl)methyl]-4-(2,4-difluorophenyl)sulfonylpiperazine Traditional Name: 1-[2-(tert-butylthio)benzyl]-4-(2,4-difluorophenyl)sulfonyl-piperazine Formula: C21H26F2N2O2S2 MolecularWeight: 440.570146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)F)F

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C21H26F2N2O2S2/c1-21(2,3)28-19-7-5-4-6-16(19)15-24-10-12-25(13-11-24)29(26,27)20-9-8-17(22)14-18(20)23/h4-9,14H,10-13,15H2,1-3H3