N-[(3S)-1-[3-(6-azanyl-2-methyl-pyridin-3-yl)-2-oxidanylidene-propyl]-2-oxidanylidene-azepan-3-yl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[(3S)-1-[3-(6-azanyl-2-methyl-pyridin-3-yl)-2-oxidanylidene-propyl]-2-oxidanylidene-azepan-3-yl]-1-phenyl-methanesulfonamide Openeye Name: N-[(3S)-1-[3-(6-amino-2-methyl-3-pyridyl)-2-oxo-propyl]-2-oxo-azepan-3-yl]-1-phenyl-methanesulfonamide CAS Name: N-[(3S)-1-[3-(6-amino-2-methyl-3-pyridinyl)-2-oxopropyl]-2-oxo-3-azepanyl]-1-phenylmethanesulfonamide IUPAC Name: N-[(3S)-1-[3-(6-amino-2-methylpyridin-3-yl)-2-oxopropyl]-2-oxoazepan-3-yl]-1-phenylmethanesulfonamide Traditional Name: N-[(3S)-1-[3-(6-amino-2-methyl-3-pyridyl)-2-keto-propyl]-2-keto-azepan-3-yl]-1-phenyl-methanesulfonamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)N)CC(=O)CN2CCCCC(C2=O)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=N1)N)CC(=O)CN2CCCC[C@@H](C2=O)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O4S/c1-16-18(10-11-21(23)24-16)13-19(27)14-26-12-6-5-9-20(22(26)28)25-31(29,30)15-17-7-3-2-4-8-17/h2-4,7-8,10-11,20,25H,5-6,9,12-15H2,1H3,(H2,23,24)/t20-/m0/s1