ethyl 3-butylsulfanyl-4-chloranyl-5-sulfamoyl-benzoate

Systemtic Name: ethyl 3-butylsulfanyl-4-chloranyl-5-sulfamoyl-benzoate Openeye Name: ethyl 3-butylsulfanyl-4-chloro-5-sulfamoyl-benzoate CAS Name: 3-(butylthio)-4-chloro-5-sulfamoylbenzoic acid ethyl ester IUPAC Name: ethyl 3-butylsulfanyl-4-chloro-5-sulfamoylbenzoate Traditional Name: 3-(butylthio)-4-chloro-5-sulfamoyl-benzoic acid ethyl ester Formula: C13H18ClNO4S2 MolecularWeight: 351.86932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=CC(=C1)C(=O)OCC)S(=O)(=O)N)Cl

Isomeric SMILES

CCCCSC1=C(C(=CC(=C1)C(=O)OCC)S(=O)(=O)N)Cl

InChI

InChI=1S/C13H18ClNO4S2/c1-3-5-6-20-10-7-9(13(16)19-4-2)8-11(12(10)14)21(15,17)18/h7-8H,3-6H2,1-2H3,(H2,15,17,18)