O-octyl 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenecarbothioate

Systemtic Name: O-octyl 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenecarbothioate Openeye Name: O-octyl 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzenecarbothioate CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzenecarbothioic acid O-octyl ester IUPAC Name: O-octyl 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenecarbothioate Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-thiobenzoic acid O-octyl ester Formula: C20H27ClN2O4S2 MolecularWeight: 459.02238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=S)C1=CC(=C(C=C1NCC2=CC=CO2)Cl)S(=O)(=O)N

Isomeric SMILES

CCCCCCCCOC(=S)C1=CC(=C(C=C1NCC2=CC=CO2)Cl)S(=O)(=O)N

InChI

InChI=1S/C20H27ClN2O4S2/c1-2-3-4-5-6-7-10-27-20(28)16-12-19(29(22,24)25)17(21)13-18(16)23-14-15-9-8-11-26-15/h8-9,11-13,23H,2-7,10,14H2,1H3,(H2,22,24,25)