1-butylsulfonylurea; propan-2-yl 2-(butylcarbamoylsulfamoyl)-4-chloranyl-benzoate

Systemtic Name: 1-butylsulfonylurea; propan-2-yl 2-(butylcarbamoylsulfamoyl)-4-chloranyl-benzoate Openeye Name: butylsulfonylurea; isopropyl 2-(butylcarbamoylsulfamoyl)-4-chloro-benzoate CAS Name: 2-[[butylamino(oxo)methyl]sulfamoyl]-4-chlorobenzoic acid propan-2-yl ester; butylsulfonylurea IUPAC Name: butylsulfonylurea; propan-2-yl 2-(butylcarbamoylsulfamoyl)-4-chlorobenzoate Traditional Name: 2-(butylcarbamoylsulfamoyl)-4-chloro-benzoic acid isopropyl ester; butylsulfonylurea Formula: C20H33ClN4O8S2 MolecularWeight: 557.08102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)Cl)C(=O)OC(C)C.CCCCS(=O)(=O)NC(=O)N

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)Cl)C(=O)OC(C)C.CCCCS(=O)(=O)NC(=O)N

InChI

InChI=1S/C15H21ClN2O5S.C5H12N2O3S/c1-4-5-8-17-15(20)18-24(21,22)13-9-11(16)6-7-12(13)14(19)23-10(2)3;1-2-3-4-11(9,10)7-5(6)8/h6-7,9-10H,4-5,8H2,1-3H3,(H2,17,18,20);2-4H2,1H3,(H3,6,7,8)