3-[[(4E)-4-(4-bromophenyl)sulfonylimino-1-oxidanylidene-naphthalen-2-yl]amino]benzoic acid

Systemtic Name: 3-[[(4E)-4-(4-bromophenyl)sulfonylimino-1-oxidanylidene-naphthalen-2-yl]amino]benzoic acid Openeye Name: 3-[[(4E)-4-(4-bromophenyl)sulfonylimino-1-oxo-2-naphthyl]amino]benzoic acid CAS Name: 3-[[(4E)-4-(4-bromophenyl)sulfonylimino-1-oxo-2-naphthalenyl]amino]benzoic acid IUPAC Name: 3-[[(4E)-4-(4-bromophenyl)sulfonylimino-1-oxonaphthalen-2-yl]amino]benzoic acid Traditional Name: 3-[[(4E)-4-brosylimino-1-keto-2-naphthyl]amino]benzoic acid Formula: C23H15BrN2O5S MolecularWeight: 511.3446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS(=O)(=O)C3=CC=C(C=C3)Br)C=C(C2=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)/C(=N/S(=O)(=O)C3=CC=C(C=C3)Br)/C=C(C2=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C23H15BrN2O5S/c24-15-8-10-17(11-9-15)32(30,31)26-20-13-21(22(27)19-7-2-1-6-18(19)20)25-16-5-3-4-14(12-16)23(28)29/h1-13,25H,(H,28,29)/b26-20+