N-(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)methanamide

Systemtic Name: N-(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)methanamide Openeye Name: N-[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]formamide CAS Name: N-[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]formamide IUPAC Name: N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)formamide Traditional Name: N-[3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]formamide Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)CN(C1)S(=O)(=O)C2=CC=CC=N2)NC=O

Isomeric SMILES

C1CC(C(=O)CN(C1)S(=O)(=O)C2=CC=CC=N2)NC=O

InChI

InChI=1S/C12H15N3O4S/c16-9-14-10-4-3-7-15(8-11(10)17)20(18,19)12-5-1-2-6-13-12/h1-2,5-6,9-10H,3-4,7-8H2,(H,14,16)