(2-methoxypyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (2-methoxypyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: (2-methoxy-3-pyridyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: (2-methoxy-3-pyridinyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: (2-methoxypyridin-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (4-mesyl-1,4-diazepan-1-yl)-(2-methoxy-3-pyridyl)methanone Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)C(=O)N2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC=N1)C(=O)N2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C13H19N3O4S/c1-20-12-11(5-3-6-14-12)13(17)15-7-4-8-16(10-9-15)21(2,18)19/h3,5-6H,4,7-10H2,1-2H3