3-(azepan-1-ylsulfonyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide Openeye Name: 3-(azepan-1-ylsulfonyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide CAS Name: 3-(1-azepanylsulfonyl)-N'-(4,6-dimethyl-2-pyrimidinyl)benzohydrazide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide Traditional Name: 3-(azepan-1-ylsulfonyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide Formula: C19H25N5O3S MolecularWeight: 403.4985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C19H25N5O3S/c1-14-12-15(2)21-19(20-14)23-22-18(25)16-8-7-9-17(13-16)28(26,27)24-10-5-3-4-6-11-24/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,22,25)(H,20,21,23)