4-[(3-oxidanyl-4-oxidanylidene-butanoyl)amino]-1-pyridin-2-ylsulfonyl-azepane-2-carboxamide

Systemtic Name: 4-[(3-oxidanyl-4-oxidanylidene-butanoyl)amino]-1-pyridin-2-ylsulfonyl-azepane-2-carboxamide Openeye Name: 4-[(3-hydroxy-4-oxo-butanoyl)amino]-1-(2-pyridylsulfonyl)azepane-2-carboxamide CAS Name: 4-[(3-hydroxy-1,4-dioxobutyl)amino]-1-(2-pyridinylsulfonyl)-2-azepanecarboxamide IUPAC Name: 4-[(3-hydroxy-4-oxobutanoyl)amino]-1-pyridin-2-ylsulfonylazepane-2-carboxamide Traditional Name: 4-[(3-hydroxy-4-keto-butanoyl)amino]-1-(2-pyridylsulfonyl)azepane-2-carboxamide Formula: C16H22N4O6S MolecularWeight: 398.43408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O6S/c17-16(24)13-8-11(19-14(23)9-12(22)10-21)4-3-7-20(13)27(25,26)15-5-1-2-6-18-15/h1-2,5-6,10-13,22H,3-4,7-9H2,(H2,17,24)(H,19,23)