2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-[4-(4-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-[4-(4-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-(4-brosylpiperazin-1-ium-1-yl)-N-[2-(phenylthio)ethyl]acetamide Formula: C20H25BrN3O3S2+ MolecularWeight: 499.4648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H24BrN3O3S2/c21-17-6-8-19(9-7-17)29(26,27)24-13-11-23(12-14-24)16-20(25)22-10-15-28-18-4-2-1-3-5-18/h1-9H,10-16H2,(H,22,25)/p+1