4-aminocarbonylsulfinyl-4-oxidanylidene-N-(1-pyridin-2-ylsulfonylazepan-4-yl)butanamide

Systemtic Name: 4-aminocarbonylsulfinyl-4-oxidanylidene-N-(1-pyridin-2-ylsulfonylazepan-4-yl)butanamide Openeye Name: 4-carbamoylsulfinyl-4-oxo-N-[1-(2-pyridylsulfonyl)azepan-4-yl]butanamide CAS Name: 4-carbamoylsulfinyl-4-oxo-N-[1-(2-pyridinylsulfonyl)-4-azepanyl]butanamide IUPAC Name: 4-carbamoylsulfinyl-4-oxo-N-(1-pyridin-2-ylsulfonylazepan-4-yl)butanamide Traditional Name: 4-carbamoylsulfinyl-4-keto-N-[1-(2-pyridylsulfonyl)azepan-4-yl]butyramide Formula: C16H22N4O6S2 MolecularWeight: 430.49908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)S(=O)(=O)C2=CC=CC=N2)NC(=O)CCC(=O)S(=O)C(=O)N

Isomeric SMILES

C1CC(CCN(C1)S(=O)(=O)C2=CC=CC=N2)NC(=O)CCC(=O)S(=O)C(=O)N

InChI

InChI=1S/C16H22N4O6S2/c17-16(23)27(24)15(22)7-6-13(21)19-12-4-3-10-20(11-8-12)28(25,26)14-5-1-2-9-18-14/h1-2,5,9,12H,3-4,6-8,10-11H2,(H2,17,23)(H,19,21)