2-[4-(2-methylpropyl)phenyl]-N-methylsulfanyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]-N-methylsulfanyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine Openeye Name: 2-(4-isobutylphenyl)-2-(3-isopropylsulfonylpiperazin-1-yl)-N-methylsulfanyl-ethanamine CAS Name: N-[2-[4-(2-methylpropyl)phenyl]-2-(3-propan-2-ylsulfonyl-1-piperazinyl)ethyl]methanesulfenamide IUPAC Name: 2-[4-(2-methylpropyl)phenyl]-N-methylsulfanyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine Traditional Name: [2-(4-isobutylphenyl)-2-(3-isopropylsulfonylpiperazino)ethyl]-(methylthio)amine Formula: C20H35N3O2S2 MolecularWeight: 413.6408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CNSC)N2CCNC(C2)S(=O)(=O)C(C)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CNSC)N2CCNC(C2)S(=O)(=O)C(C)C

InChI

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