N-[1,4-bis(oxidanylidene)-3-[3-(phenylmethyl)imidazol-3-ium-1-yl]naphthalen-2-yl]-4-bromanyl-benzenesulfonamide

Systemtic Name: N-[1,4-bis(oxidanylidene)-3-[3-(phenylmethyl)imidazol-3-ium-1-yl]naphthalen-2-yl]-4-bromanyl-benzenesulfonamide Openeye Name: N-[3-(3-benzylimidazol-3-ium-1-yl)-1,4-dioxo-2-naphthyl]-4-bromo-benzenesulfonamide CAS Name: 4-bromo-N-[1,4-dioxo-3-[3-(phenylmethyl)-1-imidazol-3-iumyl]-2-naphthalenyl]benzenesulfonamide IUPAC Name: N-[3-(3-benzylimidazol-3-ium-1-yl)-1,4-dioxonaphthalen-2-yl]-4-bromobenzenesulfonamide Traditional Name: N-[3-(3-benzylimidazol-3-ium-1-yl)-1,4-diketo-2-naphthyl]-4-bromo-benzenesulfonamide Formula: C26H19BrN3O4S+ MolecularWeight: 549.41576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CN(C=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CN(C=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C26H18BrN3O4S/c27-19-10-12-20(13-11-19)35(33,34)28-23-24(26(32)22-9-5-4-8-21(22)25(23)31)30-15-14-29(17-30)16-18-6-2-1-3-7-18/h1-15,17H,16H2/p+1