(2S)-2-methyl-N'-[(3S,4S,6S)-6-methyl-3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl]pentanediamide

Systemtic Name: (2S)-2-methyl-N'-[(3S,4S,6S)-6-methyl-3-oxidanyl-1-pyridin-2-ylsulfonyl-azepan-4-yl]pentanediamide Openeye Name: (2S)-N'-[(3S,4S,6S)-3-hydroxy-6-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]-2-methyl-pentanediamide CAS Name: (2S)-N'-[(3S,4S,6S)-3-hydroxy-6-methyl-1-(2-pyridinylsulfonyl)-4-azepanyl]-2-methylpentanediamide IUPAC Name: (2S)-N'-[(3S,4S,6S)-3-hydroxy-6-methyl-1-pyridin-2-ylsulfonylazepan-4-yl]-2-methylpentanediamide Traditional Name: (2S)-N'-[(3S,4S,6S)-3-hydroxy-6-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]-2-methyl-glutaramide Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN(C1)S(=O)(=O)C2=CC=CC=N2)O)NC(=O)CCC(C)C(=O)N

Isomeric SMILES

C[C@H]1C[C@@H]([C@H](CN(C1)S(=O)(=O)C2=CC=CC=N2)O)NC(=O)CC[C@H](C)C(=O)N

InChI

InChI=1S/C18H28N4O5S/c1-12-9-14(21-16(24)7-6-13(2)18(19)25)15(23)11-22(10-12)28(26,27)17-5-3-4-8-20-17/h3-5,8,12-15,23H,6-7,9-11H2,1-2H3,(H2,19,25)(H,21,24)/t12-,13-,14-,15-/m0/s1