N-iodanyl-2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethanamine

Systemtic Name: N-iodanyl-2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethanamine Openeye Name: N-iodo-2-(4-isopropylsulfonylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethanamine CAS Name: N-iodo-2-[3-(methylthio)-1-piperazinyl]-2-(4-propan-2-ylsulfonylphenyl)ethanamine IUPAC Name: N-iodo-2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethanamine Traditional Name: iodo-[2-(4-isopropylsulfonylphenyl)-2-[3-(methylthio)piperazino]ethyl]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(CNI)N2CCNC(C2)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNI)N2CCNC(C2)SC

InChI

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