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

Systemtic Name: 4-bromanyl-N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-benzyl-4-bromo-benzenesulfonamide CAS Name: 4-bromo-N-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-benzyl-4-bromobenzenesulfonamide Traditional Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-benzyl-4-bromo-benzenesulfonamide Formula: C32H33BrN3O3S+ MolecularWeight: 619.59172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN(CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CN(CC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C32H32BrN3O3S/c33-29-16-18-30(19-17-29)40(38,39)36(24-26-10-4-1-5-11-26)25-31(37)34-20-22-35(23-21-34)32(27-12-6-2-7-13-27)28-14-8-3-9-15-28/h1-19,32H,20-25H2/p+1