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

Systemtic Name: N-[2-(4-ethylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonamide Openeye Name: N-[2-(4-ethylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonamide CAS Name: N-[2-(4-ethylphenyl)-2-[3-(methylthio)-1-piperazinyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-ethylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]benzenesulfonamide Traditional Name: N-[2-(4-ethylphenyl)-2-[3-(methylthio)piperazino]ethyl]benzenesulfonamide Formula: C21H29N3O2S2 MolecularWeight: 419.60386

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C21H29N3O2S2/c1-3-17-9-11-18(12-10-17)20(24-14-13-22-21(16-24)27-2)15-23-28(25,26)19-7-5-4-6-8-19/h4-12,20-23H,3,13-16H2,1-2H3