2-bromanyl-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide

Systemtic Name: 2-bromanyl-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]benzenesulfonamide Openeye Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-2-bromo-benzenesulfonamide CAS Name: 2-bromo-N-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-2-bromobenzenesulfonamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-2-bromo-benzenesulfonamide Formula: C20H25BrN3O3S+ MolecularWeight: 467.3998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H24BrN3O3S/c21-18-8-4-5-9-19(18)28(26,27)22-11-10-20(25)24-14-12-23(13-15-24)16-17-6-2-1-3-7-17/h1-9,22H,10-16H2/p+1