(3Z)-3-(4-methylphenyl)sulfonylimino-4-oxidanylidene-2-[3-(phenylmethyl)imidazol-3-ium-1-yl]naphthalen-1-olate

Systemtic Name: (3Z)-3-(4-methylphenyl)sulfonylimino-4-oxidanylidene-2-[3-(phenylmethyl)imidazol-3-ium-1-yl]naphthalen-1-olate Openeye Name: (3Z)-2-(3-benzylimidazol-3-ium-1-yl)-4-oxo-3-(p-tolylsulfonylimino)naphthalen-1-olate CAS Name: (3Z)-3-(4-methylphenyl)sulfonylimino-4-oxo-2-[3-(phenylmethyl)-1-imidazol-3-iumyl]-1-naphthalenolate IUPAC Name: (3Z)-2-(3-benzylimidazol-3-ium-1-yl)-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate Traditional Name: (3Z)-2-(3-benzylimidazol-3-ium-1-yl)-4-keto-3-tosylimino-naphthalen-1-olate Formula: C27H21N3O4S MolecularWeight: 483.53834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2C(=C(C3=CC=CC=C3C2=O)[O-])N4C=C[N+](=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C(=C(C3=CC=CC=C3C2=O)[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