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

Systemtic Name: (3Z)-3-(4-bromophenyl)sulfonylimino-2-[3-(3-methylbutyl)imidazol-3-ium-1-yl]-4-oxidanylidene-naphthalen-1-olate Openeye Name: (3Z)-3-(4-bromophenyl)sulfonylimino-2-(3-isopentylimidazol-3-ium-1-yl)-4-oxo-naphthalen-1-olate CAS Name: (3Z)-3-(4-bromophenyl)sulfonylimino-2-[3-(3-methylbutyl)-1-imidazol-3-iumyl]-4-oxo-1-naphthalenolate IUPAC Name: (3Z)-3-(4-bromophenyl)sulfonylimino-2-[3-(3-methylbutyl)imidazol-3-ium-1-yl]-4-oxonaphthalen-1-olate Traditional Name: (3Z)-3-brosylimino-2-(3-isoamylimidazol-3-ium-1-yl)-4-keto-naphthalen-1-olate Formula: C24H22BrN3O4S MolecularWeight: 528.41818

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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)Br)[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)Br)[O-]

InChI

InChI=1S/C24H22BrN3O4S/c1-16(2)11-12-27-13-14-28(15-27)22-21(23(29)19-5-3-4-6-20(19)24(22)30)26-33(31,32)18-9-7-17(25)8-10-18/h3-10,13-16H,11-12H2,1-2H3