N-(4-bromophenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-bromophenyl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-bromophenyl)acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-(4-bromophenyl)acetamide Formula: C18H21BrN3O3S+ MolecularWeight: 439.34664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20BrN3O3S/c19-15-6-8-16(9-7-15)20-18(23)14-21-10-12-22(13-11-21)26(24,25)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,20,23)/p+1