N-[2-[4-(2-methylpropyl)phenyl]-2-(3-methylsulfanylpiperazin-1-yl)ethyl]propane-2-sulfonamide

Systemtic Name: N-[2-[4-(2-methylpropyl)phenyl]-2-(3-methylsulfanylpiperazin-1-yl)ethyl]propane-2-sulfonamide Openeye Name: N-[2-(4-isobutylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]propane-2-sulfonamide CAS Name: N-[2-[4-(2-methylpropyl)phenyl]-2-[3-(methylthio)-1-piperazinyl]ethyl]-2-propanesulfonamide IUPAC Name: N-[2-[4-(2-methylpropyl)phenyl]-2-(3-methylsulfanylpiperazin-1-yl)ethyl]propane-2-sulfonamide Traditional Name: N-[2-(4-isobutylphenyl)-2-[3-(methylthio)piperazino]ethyl]propane-2-sulfonamide Formula: C20H35N3O2S2 MolecularWeight: 413.6408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CNS(=O)(=O)C(C)C)N2CCNC(C2)SC

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CNS(=O)(=O)C(C)C)N2CCNC(C2)SC

InChI

InChI=1S/C20H35N3O2S2/c1-15(2)12-17-6-8-18(9-7-17)19(13-22-27(24,25)16(3)4)23-11-10-21-20(14-23)26-5/h6-9,15-16,19-22H,10-14H2,1-5H3