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

Systemtic Name: (3Z)-2-[3-(3-methylbutyl)imidazol-3-ium-1-yl]-4-oxidanylidene-3-(phenylsulfonylimino)naphthalen-1-olate Openeye Name: (3Z)-3-(benzenesulfonylimino)-2-(3-isopentylimidazol-3-ium-1-yl)-4-oxo-naphthalen-1-olate CAS Name: (3Z)-3-(benzenesulfonylimino)-2-[3-(3-methylbutyl)-1-imidazol-3-iumyl]-4-oxo-1-naphthalenolate IUPAC Name: (3Z)-3-(benzenesulfonylimino)-2-[3-(3-methylbutyl)imidazol-3-ium-1-yl]-4-oxonaphthalen-1-olate Traditional Name: (3Z)-3-besylimino-2-(3-isoamylimidazol-3-ium-1-yl)-4-keto-naphthalen-1-olate Formula: C24H23N3O4S MolecularWeight: 449.52212

Click to see the large picture

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=CC=C4)[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=CC=C4)[O-]

InChI

InChI=1S/C24H23N3O4S/c1-17(2)12-13-26-14-15-27(16-26)22-21(25-32(30,31)18-8-4-3-5-9-18)23(28)19-10-6-7-11-20(19)24(22)29/h3-11,14-17H,12-13H2,1-2H3