(3Z)-3-(4-bromophenyl)sulfonylimino-4-oxidanylidene-2-(3-pentylimidazol-3-ium-1-yl)naphthalen-1-olate

Systemtic Name: (3Z)-3-(4-bromophenyl)sulfonylimino-4-oxidanylidene-2-(3-pentylimidazol-3-ium-1-yl)naphthalen-1-olate Openeye Name: (3Z)-3-(4-bromophenyl)sulfonylimino-4-oxo-2-(3-pentylimidazol-3-ium-1-yl)naphthalen-1-olate CAS Name: (3Z)-3-(4-bromophenyl)sulfonylimino-4-oxo-2-(3-pentyl-1-imidazol-3-iumyl)-1-naphthalenolate IUPAC Name: (3Z)-3-(4-bromophenyl)sulfonylimino-4-oxo-2-(3-pentylimidazol-3-ium-1-yl)naphthalen-1-olate Traditional Name: (3Z)-2-(3-amylimidazol-3-ium-1-yl)-3-brosylimino-4-keto-naphthalen-1-olate Formula: C24H22BrN3O4S MolecularWeight: 528.41818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=CN(C=C1)C2=C(C3=CC=CC=C3C(=O)C2=NS(=O)(=O)C4=CC=C(C=C4)Br)[O-]

Isomeric SMILES

CCCCC[N+]1=CN(C=C1)C\2=C(C3=CC=CC=C3C(=O)/C2=N\S(=O)(=O)C4=CC=C(C=C4)Br)[O-]

InChI

InChI=1S/C24H22BrN3O4S/c1-2-3-6-13-27-14-15-28(16-27)22-21(23(29)19-7-4-5-8-20(19)24(22)30)26-33(31,32)18-11-9-17(25)10-12-18/h4-5,7-12,14-16H,2-3,6,13H2,1H3