1-[(2-tert-butylsulfanylphenyl)methyl]-4-(2-chlorophenyl)sulfonyl-piperazine

Systemtic Name: 1-[(2-tert-butylsulfanylphenyl)methyl]-4-(2-chlorophenyl)sulfonyl-piperazine Openeye Name: 1-[(2-tert-butylsulfanylphenyl)methyl]-4-(2-chlorophenyl)sulfonyl-piperazine CAS Name: 1-[[2-(tert-butylthio)phenyl]methyl]-4-(2-chlorophenyl)sulfonylpiperazine IUPAC Name: 1-[(2-tert-butylsulfanylphenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine Traditional Name: 1-[2-(tert-butylthio)benzyl]-4-(2-chlorophenyl)sulfonyl-piperazine Formula: C21H27ClN2O2S2 MolecularWeight: 439.03428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H27ClN2O2S2/c1-21(2,3)27-19-10-6-4-8-17(19)16-23-12-14-24(15-13-23)28(25,26)20-11-7-5-9-18(20)22/h4-11H,12-16H2,1-3H3