N-(4-bromophenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide; 4-[(4-dimethylaminophenyl)diazenyl]benzenesulfonate

Systemtic Name: N-(4-bromophenyl)-2-(3-oxidanylpyridin-1-ium-1-yl)ethanamide; 4-[(4-dimethylaminophenyl)diazenyl]benzenesulfonate Openeye Name: N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide; 4-(4-dimethylaminophenyl)azobenzenesulfonate CAS Name: N-(4-bromophenyl)-2-(3-hydroxy-1-pyridin-1-iumyl)acetamide; 4-(4-dimethylaminophenyl)azobenzenesulfonate IUPAC Name: N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide; 4-[(4-dimethylaminophenyl)diazenyl]benzenesulfonate Traditional Name: N-(4-bromophenyl)-2-(3-hydroxypyridin-1-ium-1-yl)acetamide; 4-(4-dimethylaminophenyl)azobesylate Formula: C27H26BrN5O5S MolecularWeight: 612.49484

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].C1=CC(=C[N+](=C1)CC(=O)NC2=CC=C(C=C2)Br)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)[O-].C1=CC(=C[N+](=C1)CC(=O)NC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C14H15N3O3S.C13H11BrN2O2/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;14-10-3-5-11(6-4-10)15-13(18)9-16-7-1-2-12(17)8-16/h3-10H,1-2H3,(H,18,19,20);1-8H,9H2,(H-,15,17,18)