3-(3-fluoranyl-4-methoxy-phenyl)-2-[5-(methylsulfanylmethyl)-1,2-oxazol-4-yl]benzenesulfonamide

Systemtic Name: 3-(3-fluoranyl-4-methoxy-phenyl)-2-[5-(methylsulfanylmethyl)-1,2-oxazol-4-yl]benzenesulfonamide Openeye Name: 3-(3-fluoro-4-methoxy-phenyl)-2-[5-(methylsulfanylmethyl)isoxazol-4-yl]benzenesulfonamide CAS Name: 3-(3-fluoro-4-methoxyphenyl)-2-[5-[(methylthio)methyl]-4-isoxazolyl]benzenesulfonamide IUPAC Name: 3-(3-fluoro-4-methoxyphenyl)-2-[5-(methylsulfanylmethyl)-1,2-oxazol-4-yl]benzenesulfonamide Traditional Name: 3-(3-fluoro-4-methoxy-phenyl)-2-[5-[(methylthio)methyl]isoxazol-4-yl]benzenesulfonamide Formula: C18H17FN2O4S2 MolecularWeight: 408.466983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=CC=C2)S(=O)(=O)N)C3=C(ON=C3)CSC)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=CC=C2)S(=O)(=O)N)C3=C(ON=C3)CSC)F

InChI

InChI=1S/C18H17FN2O4S2/c1-24-15-7-6-11(8-14(15)19)12-4-3-5-17(27(20,22)23)18(12)13-9-21-25-16(13)10-26-2/h3-9H,10H2,1-2H3,(H2,20,22,23)