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

Systemtic Name: (3Z)-3-(4-chlorophenyl)sulfonylimino-4-oxidanylidene-2-[3-(phenylmethyl)imidazol-3-ium-1-yl]naphthalen-1-olate Openeye Name: (3Z)-2-(3-benzylimidazol-3-ium-1-yl)-3-(4-chlorophenyl)sulfonylimino-4-oxo-naphthalen-1-olate CAS Name: (3Z)-3-(4-chlorophenyl)sulfonylimino-4-oxo-2-[3-(phenylmethyl)-1-imidazol-3-iumyl]-1-naphthalenolate IUPAC Name: (3Z)-2-(3-benzylimidazol-3-ium-1-yl)-3-(4-chlorophenyl)sulfonylimino-4-oxonaphthalen-1-olate Traditional Name: (3Z)-2-(3-benzylimidazol-3-ium-1-yl)-3-(4-chlorophenyl)sulfonylimino-4-keto-naphthalen-1-olate Formula: C26H18ClN3O4S MolecularWeight: 503.95682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CN(C=C2)C3=C(C4=CC=CC=C4C(=O)C3=NS(=O)(=O)C5=CC=C(C=C5)Cl)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CN(C=C2)C\3=C(C4=CC=CC=C4C(=O)/C3=N\S(=O)(=O)C5=CC=C(C=C5)Cl)[O-]

InChI

InChI=1S/C26H18ClN3O4S/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