4-(azepan-1-yldiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

Systemtic Name: 4-(azepan-1-yldiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide Openeye Name: 4-(azepan-1-ylazo)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide CAS Name: 4-(1-azepanylazo)-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-(azepan-1-yldiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide Traditional Name: 4-(azepan-1-ylazo)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide Formula: C18H24N6O2S MolecularWeight: 388.48716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NN3CCCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NN3CCCCCC3)C

InChI

InChI=1S/C18H24N6O2S/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,(H,19,20,22)