2-(4-ethylphenyl)-N-methylsulfanyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine

Systemtic Name: 2-(4-ethylphenyl)-N-methylsulfanyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine Openeye Name: 2-(4-ethylphenyl)-2-(3-isopropylsulfonylpiperazin-1-yl)-N-methylsulfanyl-ethanamine CAS Name: N-[2-(4-ethylphenyl)-2-(3-propan-2-ylsulfonyl-1-piperazinyl)ethyl]methanesulfenamide IUPAC Name: 2-(4-ethylphenyl)-N-methylsulfanyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)ethanamine Traditional Name: [2-(4-ethylphenyl)-2-(3-isopropylsulfonylpiperazino)ethyl]-(methylthio)amine Formula: C18H31N3O2S2 MolecularWeight: 385.58764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNSC)N2CCNC(C2)S(=O)(=O)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNSC)N2CCNC(C2)S(=O)(=O)C(C)C

InChI

InChI=1S/C18H31N3O2S2/c1-5-15-6-8-16(9-7-15)17(12-20-24-4)21-11-10-19-18(13-21)25(22,23)14(2)3/h6-9,14,17-20H,5,10-13H2,1-4H3