1-(4-butylphenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine

Systemtic Name: 1-(4-butylphenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine Openeye Name: 1-(4-butylphenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine CAS Name: 1-(4-butylphenyl)sulfonyl-4-[2-(methylthio)phenyl]piperazine IUPAC Name: 1-(4-butylphenyl)sulfonyl-4-(2-methylsulfanylphenyl)piperazine Traditional Name: 1-(4-butylphenyl)sulfonyl-4-[2-(methylthio)phenyl]piperazine Formula: C21H28N2O2S2 MolecularWeight: 404.58922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3SC

InChI

InChI=1S/C21H28N2O2S2/c1-3-4-7-18-10-12-19(13-11-18)27(24,25)23-16-14-22(15-17-23)20-8-5-6-9-21(20)26-2/h5-6,8-13H,3-4,7,14-17H2,1-2H3