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

Systemtic Name: 2-(3-ethoxypiperazin-1-yl)-N-methylsulfanyl-2-(4-propan-2-ylsulfonylphenyl)ethanamine Openeye Name: 2-(3-ethoxypiperazin-1-yl)-2-(4-isopropylsulfonylphenyl)-N-methylsulfanyl-ethanamine CAS Name: N-[2-(3-ethoxy-1-piperazinyl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfenamide IUPAC Name: 2-(3-ethoxypiperazin-1-yl)-N-methylsulfanyl-2-(4-propan-2-ylsulfonylphenyl)ethanamine Traditional Name: [2-(3-ethoxypiperazino)-2-(4-isopropylsulfonylphenyl)ethyl]-(methylthio)amine Formula: C18H31N3O3S2 MolecularWeight: 401.58704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C(CNSC)C2=CC=C(C=C2)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC1CN(CCN1)C(CNSC)C2=CC=C(C=C2)S(=O)(=O)C(C)C

InChI

InChI=1S/C18H31N3O3S2/c1-5-24-18-13-21(11-10-19-18)17(12-20-25-4)15-6-8-16(9-7-15)26(22,23)14(2)3/h6-9,14,17-20H,5,10-13H2,1-4H3