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

Systemtic Name: O-(2-morpholin-4-ylethyl) 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenecarbothioate Openeye Name: O-(2-morpholinoethyl) 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzenecarbothioate CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzenecarbothioic acid O-[2-(4-morpholinyl)ethyl] ester IUPAC Name: O-(2-morpholin-4-ylethyl) 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenecarbothioate Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-thiobenzoic acid O-(2-morpholinoethyl) ester Formula: C18H22ClN3O5S2 MolecularWeight: 459.96738

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCOC(=S)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N

Isomeric SMILES

C1COCCN1CCOC(=S)C2=CC(=C(C=C2NCC3=CC=CO3)Cl)S(=O)(=O)N

InChI

InChI=1S/C18H22ClN3O5S2/c19-15-11-16(21-12-13-2-1-6-26-13)14(10-17(15)29(20,23)24)18(28)27-9-5-22-3-7-25-8-4-22/h1-2,6,10-11,21H,3-5,7-9,12H2,(H2,20,23,24)