2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide Openeye Name: 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]-N-(3-pyrrolidinosulfonylphenyl)nicotinamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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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)N4CCCC4

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22N4O4S2/c1-15-12-17(24-29-15)14-30-21-19(8-5-9-22-21)20(26)23-16-6-4-7-18(13-16)31(27,28)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,23,26)