3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-[(3-fluoro-4-methoxy-phenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-[(3-fluoro-4-methoxyphenyl)methylthio]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-[(3-fluoro-4-methoxy-benzyl)thio]-N-(4-sulfamoylphenyl)propionamide Formula: C17H19FN2O4S2 MolecularWeight: 398.472163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)CSCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)F

InChI

InChI=1S/C17H19FN2O4S2/c1-24-16-7-2-12(10-15(16)18)11-25-9-8-17(21)20-13-3-5-14(6-4-13)26(19,22)23/h2-7,10H,8-9,11H2,1H3,(H,20,21)(H2,19,22,23)