1-[2-(2-methylpropyl)-4-methylsulfanyl-phenyl]-3-(phenylsulfonyl)piperazine

Systemtic Name: 1-[2-(2-methylpropyl)-4-methylsulfanyl-phenyl]-3-(phenylsulfonyl)piperazine Openeye Name: 3-(benzenesulfonyl)-1-(2-isobutyl-4-methylsulfanyl-phenyl)piperazine CAS Name: 3-(benzenesulfonyl)-1-[2-(2-methylpropyl)-4-(methylthio)phenyl]piperazine IUPAC Name: 3-(benzenesulfonyl)-1-[2-(2-methylpropyl)-4-methylsulfanylphenyl]piperazine Traditional Name: 3-besyl-1-[2-isobutyl-4-(methylthio)phenyl]piperazine Formula: C21H28N2O2S2 MolecularWeight: 404.58922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)SC)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)SC)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O2S2/c1-16(2)13-17-14-18(26-3)9-10-20(17)23-12-11-22-21(15-23)27(24,25)19-7-5-4-6-8-19/h4-10,14,16,21-22H,11-13,15H2,1-3H3