potassium [4-(azepan-1-yldiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide

Systemtic Name: potassium [4-(azepan-1-yldiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide Openeye Name: potassium [4-(azepan-1-ylazo)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide CAS Name: potassium [4-(1-azepanylazo)phenyl]sulfonyl-(4,6-dimethyl-2-pyrimidinyl)azanide IUPAC Name: potassium [4-(azepan-1-yldiazenyl)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide Traditional Name: potassium [4-(azepan-1-ylazo)phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide Formula: C18H23KN6O2S MolecularWeight: 426.57752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)N=NN3CCCCCC3)C.[K+]

Isomeric SMILES

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)N=NN3CCCCCC3)C.[K+]

InChI

InChI=1S/C18H23N6O2S.K/c1-14-13-15(2)20-18(19-14)22-27(25,26)17-9-7-16(8-10-17)21-23-24-11-5-3-4-6-12-24;/h7-10,13H,3-6,11-12H2,1-2H3;/q-1;+1