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

Systemtic Name: (3Z)-2-(3-butylimidazol-3-ium-1-yl)-4-oxidanylidene-3-(phenylsulfonylimino)naphthalen-1-olate Openeye Name: (3Z)-3-(benzenesulfonylimino)-2-(3-butylimidazol-3-ium-1-yl)-4-oxo-naphthalen-1-olate CAS Name: (3Z)-3-(benzenesulfonylimino)-2-(3-butyl-1-imidazol-3-iumyl)-4-oxo-1-naphthalenolate IUPAC Name: (3Z)-3-(benzenesulfonylimino)-2-(3-butylimidazol-3-ium-1-yl)-4-oxonaphthalen-1-olate Traditional Name: (3Z)-3-besylimino-2-(3-butylimidazol-3-ium-1-yl)-4-keto-naphthalen-1-olate Formula: C23H21N3O4S MolecularWeight: 435.49554

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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=CC=C4)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4S/c1-2-3-13-25-14-15-26(16-25)21-20(24-31(29,30)17-9-5-4-6-10-17)22(27)18-11-7-8-12-19(18)23(21)28/h4-12,14-16H,2-3,13H2,1H3