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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3O3S2/c1-5-24-20-12-17(21-11-10-19-18(13-21)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