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

Systemtic Name: (3Z)-3-(4-bromophenyl)sulfonylimino-2-[3-(3-methylbutyl)benzimidazol-3-ium-1-yl]-4-oxidanylidene-naphthalen-1-olate Openeye Name: (3Z)-3-(4-bromophenyl)sulfonylimino-2-(3-isopentylbenzimidazol-3-ium-1-yl)-4-oxo-naphthalen-1-olate CAS Name: (3Z)-3-(4-bromophenyl)sulfonylimino-2-[3-(3-methylbutyl)-1-benzimidazol-3-iumyl]-4-oxo-1-naphthalenolate IUPAC Name: (3Z)-3-(4-bromophenyl)sulfonylimino-2-[3-(3-methylbutyl)benzimidazol-3-ium-1-yl]-4-oxonaphthalen-1-olate Traditional Name: (3Z)-3-brosylimino-2-(3-isoamylbenzimidazol-3-ium-1-yl)-4-keto-naphthalen-1-olate Formula: C28H24BrN3O4S MolecularWeight: 578.47686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[N+]1=CN(C2=CC=CC=C21)C3=C(C4=CC=CC=C4C(=O)C3=NS(=O)(=O)C5=CC=C(C=C5)Br)[O-]

Isomeric SMILES

CC(C)CC[N+]1=CN(C2=CC=CC=C21)C\3=C(C4=CC=CC=C4C(=O)/C3=N\S(=O)(=O)C5=CC=C(C=C5)Br)[O-]

InChI

InChI=1S/C28H24BrN3O4S/c1-18(2)15-16-31-17-32(24-10-6-5-9-23(24)31)26-25(27(33)21-7-3-4-8-22(21)28(26)34)30-37(35,36)20-13-11-19(29)12-14-20/h3-14,17-18H,15-16H2,1-2H3