4-methyl-N-(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)-2-(2-phenoxyethanoylamino)pentanamide

Systemtic Name: 4-methyl-N-(3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl)-2-(2-phenoxyethanoylamino)pentanamide Openeye Name: 4-methyl-N-[3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]-2-[(2-phenoxyacetyl)amino]pentanamide CAS Name: 4-methyl-2-[(1-oxo-2-phenoxyethyl)amino]-N-[3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]pentanamide IUPAC Name: 4-methyl-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)-2-[(2-phenoxyacetyl)amino]pentanamide Traditional Name: N-[3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]-4-methyl-2-[(2-phenoxyacetyl)amino]valeramide Formula: C25H32N4O6S MolecularWeight: 516.60978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC=N2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H32N4O6S/c1-18(2)15-21(27-23(31)17-35-19-9-4-3-5-10-19)25(32)28-20-11-8-14-29(16-22(20)30)36(33,34)24-12-6-7-13-26-24/h3-7,9-10,12-13,18,20-21H,8,11,14-17H2,1-2H3,(H,27,31)(H,28,32)