2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(5-methylisoxazol-3-yl)-2-phenyl-acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-(5-methyl-3-isoxazolyl)-2-phenylacetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(5-methylisoxazol-3-yl)-2-phenyl-acetamide Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N4O4S2/c1-17-15-20(26-31-17)25-23(28)22(18-9-5-4-6-10-18)32-21-12-11-19(16-24-21)33(29,30)27-13-7-2-3-8-14-27/h4-6,9-12,15-16,22H,2-3,7-8,13-14H2,1H3,(H,25,26,28)