(6-methylpyridin-2-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (6-methylpyridin-2-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: (6-methyl-2-pyridyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: (6-methyl-2-pyridinyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: (6-methylpyridin-2-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-(6-methyl-2-pyridyl)methanone Formula: C13H19N3O3S MolecularWeight: 297.37326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C(=O)N2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC(=N1)C(=O)N2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C13H19N3O3S/c1-11-5-3-6-12(14-11)13(17)15-7-4-8-16(10-9-15)20(2,18)19/h3,5-6H,4,7-10H2,1-2H3