2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[2-(4-sulfamoylphenyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[2-(4-sulfamoylphenyl)ethyl]nicotinamide Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H22N4O4S2/c1-13-18(14(2)28-24-13)12-29-20-17(4-3-10-23-20)19(25)22-11-9-15-5-7-16(8-6-15)30(21,26)27/h3-8,10H,9,11-12H2,1-2H3,(H,22,25)(H2,21,26,27)