2-(3-iodanylpiperazin-1-yl)-N-methylsulfanyl-2-(4-propan-2-ylsulfonylphenyl)ethanamine

Systemtic Name: 2-(3-iodanylpiperazin-1-yl)-N-methylsulfanyl-2-(4-propan-2-ylsulfonylphenyl)ethanamine Openeye Name: 2-(3-iodopiperazin-1-yl)-2-(4-isopropylsulfonylphenyl)-N-methylsulfanyl-ethanamine CAS Name: N-[2-(3-iodo-1-piperazinyl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfenamide IUPAC Name: 2-(3-iodopiperazin-1-yl)-N-methylsulfanyl-2-(4-propan-2-ylsulfonylphenyl)ethanamine Traditional Name: [2-(3-iodopiperazino)-2-(4-isopropylsulfonylphenyl)ethyl]-(methylthio)amine Formula: C16H26IN3O2S2 MolecularWeight: 483.43101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26IN3O2S2/c1-12(2)24(21,22)14-6-4-13(5-7-14)15(10-19-23-3)20-9-8-18-16(17)11-20/h4-7,12,15-16,18-19H,8-11H2,1-3H3