(3Z)-3-(4-acetamidophenyl)sulfonylimino-2-(3-butylimidazol-3-ium-1-yl)-4-oxidanylidene-naphthalen-1-olate

Systemtic Name: (3Z)-3-(4-acetamidophenyl)sulfonylimino-2-(3-butylimidazol-3-ium-1-yl)-4-oxidanylidene-naphthalen-1-olate Openeye Name: (3Z)-3-(4-acetamidophenyl)sulfonylimino-2-(3-butylimidazol-3-ium-1-yl)-4-oxo-naphthalen-1-olate CAS Name: (3Z)-3-(4-acetamidophenyl)sulfonylimino-2-(3-butyl-1-imidazol-3-iumyl)-4-oxo-1-naphthalenolate IUPAC Name: (3Z)-3-(4-acetamidophenyl)sulfonylimino-2-(3-butylimidazol-3-ium-1-yl)-4-oxonaphthalen-1-olate Traditional Name: (3Z)-3-(4-acetamidophenyl)sulfonylimino-2-(3-butylimidazol-3-ium-1-yl)-4-keto-naphthalen-1-olate Formula: C25H24N4O5S MolecularWeight: 492.54686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O5S/c1-3-4-13-28-14-15-29(16-28)23-22(24(31)20-7-5-6-8-21(20)25(23)32)27-35(33,34)19-11-9-18(10-12-19)26-17(2)30/h5-12,14-16H,3-4,13H2,1-2H3,(H-,26,27,30,32)