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

Systemtic Name: 4-[3-(3-fluoranyl-4-methoxy-phenyl)-5-(thiophen-3-ylmethylsulfanyl)-1,2-oxazol-4-yl]benzenesulfonamide Openeye Name: 4-[3-(3-fluoro-4-methoxy-phenyl)-5-(3-thienylmethylsulfanyl)isoxazol-4-yl]benzenesulfonamide CAS Name: 4-[3-(3-fluoro-4-methoxyphenyl)-5-(3-thiophenylmethylthio)-4-isoxazolyl]benzenesulfonamide IUPAC Name: 4-[3-(3-fluoro-4-methoxyphenyl)-5-(thiophen-3-ylmethylsulfanyl)-1,2-oxazol-4-yl]benzenesulfonamide Traditional Name: 4-[3-(3-fluoro-4-methoxy-phenyl)-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=NOC(=C2C3=CC=C(C=C3)S(=O)(=O)N)SCC4=CSC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=C2C3=CC=C(C=C3)S(=O)(=O)N)SCC4=CSC=C4)F

InChI

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