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

Systemtic Name: (3Z)-3-(4-acetamidophenyl)sulfonylimino-2-[3-(3-methylbutyl)imidazol-3-ium-1-yl]-4-oxidanylidene-naphthalen-1-olate Openeye Name: (3Z)-3-(4-acetamidophenyl)sulfonylimino-2-(3-isopentylimidazol-3-ium-1-yl)-4-oxo-naphthalen-1-olate CAS Name: (3Z)-3-(4-acetamidophenyl)sulfonylimino-2-[3-(3-methylbutyl)-1-imidazol-3-iumyl]-4-oxo-1-naphthalenolate IUPAC Name: (3Z)-3-(4-acetamidophenyl)sulfonylimino-2-[3-(3-methylbutyl)imidazol-3-ium-1-yl]-4-oxonaphthalen-1-olate Traditional Name: (3Z)-3-(4-acetamidophenyl)sulfonylimino-2-(3-isoamylimidazol-3-ium-1-yl)-4-keto-naphthalen-1-olate Formula: C26H26N4O5S MolecularWeight: 506.57344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[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

CC(C)CC[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/C26H26N4O5S/c1-17(2)12-13-29-14-15-30(16-29)24-23(25(32)21-6-4-5-7-22(21)26(24)33)28-36(34,35)20-10-8-19(9-11-20)27-18(3)31/h4-11,14-17H,12-13H2,1-3H3,(H-,27,28,31,33)