2-methyl-N'-[(4S)-5-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]pentanediamide

Systemtic Name: 2-methyl-N'-[(4S)-5-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]pentanediamide Openeye Name: 2-methyl-N'-[(4S)-5-methyl-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]pentanediamide CAS Name: 2-methyl-N'-[(4S)-5-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]pentanediamide IUPAC Name: 2-methyl-N'-[(4S)-5-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]pentanediamide Traditional Name: N'-[(4S)-3-keto-5-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:

CC1CCN(CC(=O)C1NC(=O)CCC(C)C(=O)N)S(=O)(=O)C2=CC=CC=N2

Isomeric SMILES

CC1CCN(CC(=O)[C@H]1NC(=O)CCC(C)C(=O)N)S(=O)(=O)C2=CC=CC=N2

InChI

InChI=1S/C18H26N4O5S/c1-12-8-10-22(28(26,27)16-5-3-4-9-20-16)11-14(23)17(12)21-15(24)7-6-13(2)18(19)25/h3-5,9,12-13,17H,6-8,10-11H2,1-2H3,(H2,19,25)(H,21,24)/t12?,13?,17-/m0/s1