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

Systemtic Name: N-[1,4-bis(oxidanylidene)-3-[3-(phenylmethyl)imidazol-3-ium-1-yl]naphthalen-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(3-benzylimidazol-3-ium-1-yl)-1,4-dioxo-2-naphthyl]-4-methyl-benzenesulfonamide CAS Name: N-[1,4-dioxo-3-[3-(phenylmethyl)-1-imidazol-3-iumyl]-2-naphthalenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(3-benzylimidazol-3-ium-1-yl)-1,4-dioxonaphthalen-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(3-benzylimidazol-3-ium-1-yl)-1,4-diketo-2-naphthyl]-4-methyl-benzenesulfonamide Formula: C27H22N3O4S+ MolecularWeight: 484.54628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4C=C[N+](=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4C=C[N+](=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H21N3O4S/c1-19-11-13-21(14-12-19)35(33,34)28-24-25(27(32)23-10-6-5-9-22(23)26(24)31)30-16-15-29(18-30)17-20-7-3-2-4-8-20/h2-16,18H,17H2,1H3/p+1