N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(5-methylisoxazol-3-yl)methylthio]nicotinamide Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C23H26N4O4S2/c1-17-14-19(26-31-17)16-32-23-21(10-7-11-24-23)22(28)25-18-8-6-9-20(15-18)33(29,30)27-12-4-2-3-5-13-27/h6-11,14-15H,2-5,12-13,16H2,1H3,(H,25,28)