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

Systemtic Name: 3-(4-methylphenyl)sulfonylimino-4-oxidanylidene-2-[3-(phenylmethyl)pyridin-1-ium-1-yl]naphthalen-1-olate Openeye Name: 2-(3-benzylpyridin-1-ium-1-yl)-4-oxo-3-(p-tolylsulfonylimino)naphthalen-1-olate CAS Name: 3-(4-methylphenyl)sulfonylimino-4-oxo-2-[3-(phenylmethyl)-1-pyridin-1-iumyl]-1-naphthalenolate IUPAC Name: 2-(3-benzylpyridin-1-ium-1-yl)-3-(4-methylphenyl)sulfonylimino-4-oxonaphthalen-1-olate Traditional Name: 2-(3-benzylpyridin-1-ium-1-yl)-4-keto-3-tosylimino-naphthalen-1-olate Formula: C29H22N2O4S MolecularWeight: 494.56098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2C(=C(C3=CC=CC=C3C2=O)[O-])[N+]4=CC=CC(=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C2C(=C(C3=CC=CC=C3C2=O)[O-])[N+]4=CC=CC(=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H22N2O4S/c1-20-13-15-23(16-14-20)36(34,35)30-26-27(29(33)25-12-6-5-11-24(25)28(26)32)31-17-7-10-22(19-31)18-21-8-3-2-4-9-21/h2-17,19H,18H2,1H3