N-[2-(4-ethylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]propane-2-sulfonamide

Systemtic Name: N-[2-(4-ethylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]propane-2-sulfonamide Openeye Name: N-[2-(4-ethylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]propane-2-sulfonamide CAS Name: N-[2-(4-ethylphenyl)-2-[3-(methylthio)-1-piperazinyl]ethyl]-2-propanesulfonamide IUPAC Name: N-[2-(4-ethylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]propane-2-sulfonamide Traditional Name: N-[2-(4-ethylphenyl)-2-[3-(methylthio)piperazino]ethyl]propane-2-sulfonamide Formula: C18H31N3O2S2 MolecularWeight: 385.58764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNS(=O)(=O)C(C)C)N2CCNC(C2)SC

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNS(=O)(=O)C(C)C)N2CCNC(C2)SC

InChI

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