(2-chloranylpyridin-4-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (2-chloranylpyridin-4-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Openeye Name: (2-chloro-4-pyridyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone CAS Name: (2-chloro-4-pyridinyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone IUPAC Name: (2-chloropyridin-4-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone Traditional Name: (2-chloro-4-pyridyl)-(4-mesyl-1,4-diazepan-1-yl)methanone Formula: C12H16ClN3O3S MolecularWeight: 317.79174

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=NC=C2)Cl

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)C2=CC(=NC=C2)Cl

InChI

InChI=1S/C12H16ClN3O3S/c1-20(18,19)16-6-2-5-15(7-8-16)12(17)10-3-4-14-11(13)9-10/h3-4,9H,2,5-8H2,1H3