(6-methylpyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (6-methylpyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: (6-methyl-3-pyridyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: (6-methyl-3-pyridinyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: (6-methylpyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-(6-methyl-3-pyridyl)methanone Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C13H19N3O3S/c1-11-4-5-12(10-14-11)13(17)15-6-3-7-16(9-8-15)20(2,18)19/h4-5,10H,3,6-9H2,1-2H3