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

Systemtic Name: 4-bromanyl-N-[3-[3-(3-methylbutyl)benzimidazol-3-ium-1-yl]-1,4-bis(oxidanylidene)naphthalen-2-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-(3-isopentylbenzimidazol-3-ium-1-yl)-1,4-dioxo-2-naphthyl]benzenesulfonamide CAS Name: 4-bromo-N-[3-[3-(3-methylbutyl)-1-benzimidazol-3-iumyl]-1,4-dioxo-2-naphthalenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-[3-(3-methylbutyl)benzimidazol-3-ium-1-yl]-1,4-dioxonaphthalen-2-yl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-(3-isoamylbenzimidazol-3-ium-1-yl)-1,4-diketo-2-naphthyl]benzenesulfonamide Formula: C28H25BrN3O4S+ MolecularWeight: 579.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[N+]1=CN(C2=CC=CC=C21)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

CC(C)CC[N+]1=CN(C2=CC=CC=C21)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C28H24BrN3O4S/c1-18(2)15-16-31-17-32(24-10-6-5-9-23(24)31)26-25(27(33)21-7-3-4-8-22(21)28(26)34)30-37(35,36)20-13-11-19(29)12-14-20/h3-14,17-18H,15-16H2,1-2H3/p+1