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

Systemtic Name: 2-methyl-N'-[(3S,4S,7R)-7-methyl-3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl]pentanediamide Openeye Name: N'-[(3S,4S,7R)-3-hydroxy-7-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]-2-methyl-pentanediamide CAS Name: N'-[(3S,4S,7R)-3-hydroxy-7-methyl-1-(2-pyridinylsulfonyl)-4-azepanyl]-2-methylpentanediamide IUPAC Name: N'-[(3S,4S,7R)-3-hydroxy-7-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]-2-methylpentanediamide Traditional Name: N'-[(3S,4S,7R)-3-hydroxy-7-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]-2-methyl-glutaramide Formula: C18H28N4O5S MolecularWeight: 412.50372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O5S/c1-12(18(19)25)6-9-16(24)21-14-8-7-13(2)22(11-15(14)23)28(26,27)17-5-3-4-10-20-17/h3-5,10,12-15,23H,6-9,11H2,1-2H3,(H2,19,25)(H,21,24)/t12?,13-,14+,15+/m1/s1