azepan-1-yl-(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)methanone

Systemtic Name: azepan-1-yl-(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)methanone Openeye Name: azepan-1-yl-(5-chloro-2-methylsulfonyl-pyrimidin-4-yl)methanone CAS Name: 1-azepanyl-(5-chloro-2-methylsulfonyl-4-pyrimidinyl)methanone IUPAC Name: azepan-1-yl-(5-chloro-2-methylsulfonylpyrimidin-4-yl)methanone Traditional Name: azepan-1-yl-(5-chloro-2-mesyl-pyrimidin-4-yl)methanone Formula: C12H16ClN3O3S MolecularWeight: 317.79174

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)N2CCCCCC2)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)N2CCCCCC2)Cl

InChI

InChI=1S/C12H16ClN3O3S/c1-20(18,19)12-14-8-9(13)10(15-12)11(17)16-6-4-2-3-5-7-16/h8H,2-7H2,1H3