4-bromanyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-bromo-benzenesulfonamide CAS Name: 4-bromo-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-bromobenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4-bromo-benzenesulfonamide Formula: C19H23BrN3O3S+ MolecularWeight: 453.37322

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CNS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H22BrN3O3S/c20-17-6-8-18(9-7-17)27(25,26)21-14-19(24)23-12-10-22(11-13-23)15-16-4-2-1-3-5-16/h1-9,21H,10-15H2/p+1