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

Systemtic Name: 3-(3-fluoranyl-4-methoxy-phenyl)-2-[5-(thiophen-3-ylmethylsulfanyl)-1,2-oxazol-4-yl]benzenesulfonamide Openeye Name: 3-(3-fluoro-4-methoxy-phenyl)-2-[5-(3-thienylmethylsulfanyl)isoxazol-4-yl]benzenesulfonamide CAS Name: 3-(3-fluoro-4-methoxyphenyl)-2-[5-(3-thiophenylmethylthio)-4-isoxazolyl]benzenesulfonamide IUPAC Name: 3-(3-fluoro-4-methoxyphenyl)-2-[5-(thiophen-3-ylmethylsulfanyl)-1,2-oxazol-4-yl]benzenesulfonamide Traditional Name: 3-(3-fluoro-4-methoxy-phenyl)-2-[5-(3-thenylthio)isoxazol-4-yl]benzenesulfonamide Formula: C21H17FN2O4S3 MolecularWeight: 476.564083

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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)SCC4=CSC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=CC=C2)S(=O)(=O)N)C3=C(ON=C3)SCC4=CSC=C4)F

InChI

InChI=1S/C21H17FN2O4S3/c1-27-18-6-5-14(9-17(18)22)15-3-2-4-19(31(23,25)26)20(15)16-10-24-28-21(16)30-12-13-7-8-29-11-13/h2-11H,12H2,1H3,(H2,23,25,26)