3-[3-(3-fluoranyl-4-methoxy-phenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]propyl N-methyl-N-oxidanyl-carbamodithioate

Systemtic Name: 3-[3-(3-fluoranyl-4-methoxy-phenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]propyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[3-(3-fluoro-4-methoxy-phenyl)-4-(4-sulfamoylphenyl)isoxazol-5-yl]propyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[3-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-5-isoxazolyl]propyl ester IUPAC Name: 3-[3-(3-fluoro-4-methoxyphenyl)-4-(4-sulfamoylphenyl)-1,2-oxazol-5-yl]propyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid 3-[3-(3-fluoro-4-methoxy-phenyl)-4-(4-sulfamoylphenyl)isoxazol-5-yl]propyl ester Formula: C21H22FN3O5S3 MolecularWeight: 511.609883

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)SCCCC1=C(C(=NO1)C2=CC(=C(C=C2)OC)F)C3=CC=C(C=C3)S(=O)(=O)N)O

Isomeric SMILES

CN(C(=S)SCCCC1=C(C(=NO1)C2=CC(=C(C=C2)OC)F)C3=CC=C(C=C3)S(=O)(=O)N)O

InChI

InChI=1S/C21H22FN3O5S3/c1-25(26)21(31)32-11-3-4-18-19(13-5-8-15(9-6-13)33(23,27)28)20(24-30-18)14-7-10-17(29-2)16(22)12-14/h5-10,12,26H,3-4,11H2,1-2H3,(H2,23,27,28)