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

Systemtic Name: N-[2-(4-methylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]propane-2-sulfonamide Openeye Name: N-[2-(3-methylsulfanylpiperazin-1-yl)-2-(p-tolyl)ethyl]propane-2-sulfonamide CAS Name: N-[2-(4-methylphenyl)-2-[3-(methylthio)-1-piperazinyl]ethyl]-2-propanesulfonamide IUPAC Name: N-[2-(4-methylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]propane-2-sulfonamide Traditional Name: N-[2-[3-(methylthio)piperazino]-2-(p-tolyl)ethyl]propane-2-sulfonamide Formula: C17H29N3O2S2 MolecularWeight: 371.56106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNS(=O)(=O)C(C)C)N2CCNC(C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)C(CNS(=O)(=O)C(C)C)N2CCNC(C2)SC

InChI

InChI=1S/C17H29N3O2S2/c1-13(2)24(21,22)19-11-16(15-7-5-14(3)6-8-15)20-10-9-18-17(12-20)23-4/h5-8,13,16-19H,9-12H2,1-4H3