N-(2-bromophenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]methanesulfonamide

Systemtic Name: N-(2-bromophenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]methanesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(2-bromophenyl)methanesulfonamide CAS Name: N-(2-bromophenyl)-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]methanesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(2-bromophenyl)methanesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-(2-bromophenyl)methanesulfonamide Formula: C20H25BrN3O3S+ MolecularWeight: 467.3998

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C3=CC=CC=C3Br

Isomeric SMILES

CS(=O)(=O)N(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C3=CC=CC=C3Br

InChI

InChI=1S/C20H24BrN3O3S/c1-28(26,27)24(19-10-6-5-9-18(19)21)16-20(25)23-13-11-22(12-14-23)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3/p+1