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

Systemtic Name: O-(4-methylpentyl) 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzenecarbothioate Openeye Name: O-isohexyl 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzenecarbothioate CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzenecarbothioic acid O-(4-methylpentyl) ester IUPAC Name: O-(4-methylpentyl) 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzenecarbothioate Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-thiobenzoic acid O-isohexyl ester Formula: C18H23ClN2O4S2 MolecularWeight: 430.96922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN2O4S2/c1-12(2)5-3-8-25-18(26)14-9-17(27(20,22)23)15(19)10-16(14)21-11-13-6-4-7-24-13/h4,6-7,9-10,12,21H,3,5,8,11H2,1-2H3,(H2,20,22,23)