2,2-dimethyl-N'-[(4S,7R)-7-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]pentanediamide

Systemtic Name: 2,2-dimethyl-N'-[(4S,7R)-7-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]pentanediamide Openeye Name: 2,2-dimethyl-N'-[(4S,7R)-7-methyl-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]pentanediamide CAS Name: 2,2-dimethyl-N'-[(4S,7R)-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]pentanediamide IUPAC Name: 2,2-dimethyl-N'-[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]pentanediamide Traditional Name: N'-[(4S,7R)-3-keto-7-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]-2,2-dimethyl-glutaramide Formula: C19H28N4O5S MolecularWeight: 424.51442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=N2)NC(=O)CCC(C)(C)C(=O)N

Isomeric SMILES

C[C@@H]1CC[C@@H](C(=O)CN1S(=O)(=O)C2=CC=CC=N2)NC(=O)CCC(C)(C)C(=O)N

InChI

InChI=1S/C19H28N4O5S/c1-13-7-8-14(22-16(25)9-10-19(2,3)18(20)26)15(24)12-23(13)29(27,28)17-6-4-5-11-21-17/h4-6,11,13-14H,7-10,12H2,1-3H3,(H2,20,26)(H,22,25)/t13-,14+/m1/s1