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

Systemtic Name: (2S)-2-methyl-N'-[(4S,6S)-6-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]pentanediamide Openeye Name: (2S)-2-methyl-N'-[(4S,6S)-6-methyl-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]pentanediamide CAS Name: (2S)-2-methyl-N'-[(4S,6S)-6-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]pentanediamide IUPAC Name: (2S)-2-methyl-N'-[(4S,6S)-6-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]pentanediamide Traditional Name: (2S)-N'-[(4S,6S)-3-keto-6-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]-2-methyl-glutaramide Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O5S/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/h3-5,8,12-14H,6-7,9-11H2,1-2H3,(H2,19,25)(H,21,24)/t12-,13-,14-/m0/s1