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

Systemtic Name: 3-[4-(3-fluoranyl-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)furan-2-yl]propyl N-methyl-N-oxidanyl-carbamodithioate Openeye Name: 3-[4-(3-fluoro-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)-2-furyl]propyl N-hydroxy-N-methyl-carbamodithioate CAS Name: N-hydroxy-N-methylcarbamodithioic acid 3-[4-(3-fluoro-4-methoxyphenyl)-5-(4-sulfamoylphenyl)-2-furanyl]propyl ester IUPAC Name: 3-[4-(3-fluoro-4-methoxyphenyl)-5-(4-sulfamoylphenyl)furan-2-yl]propyl N-hydroxy-N-methylcarbamodithioate Traditional Name: N-hydroxy-N-methyl-carbamodithioic acid 3-[4-(3-fluoro-4-methoxy-phenyl)-5-(4-sulfamoylphenyl)-2-furyl]propyl ester Formula: C22H23FN2O5S3 MolecularWeight: 510.621823

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)SCCCC1=CC(=C(O1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=C(C=C3)OC)F)O

Isomeric SMILES

CN(C(=S)SCCCC1=CC(=C(O1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC(=C(C=C3)OC)F)O

InChI

InChI=1S/C22H23FN2O5S3/c1-25(26)22(31)32-11-3-4-16-13-18(15-7-10-20(29-2)19(23)12-15)21(30-16)14-5-8-17(9-6-14)33(24,27)28/h5-10,12-13,26H,3-4,11H2,1-2H3,(H2,24,27,28)