2-[4-(butylcarbamoylsulfamoyl)phenyl]ethanoyl chloride; 6-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[4-(butylcarbamoylsulfamoyl)phenyl]ethanoyl chloride; 6-methyl-1H-quinazolin-4-one Openeye Name: 2-[4-(butylcarbamoylsulfamoyl)phenyl]acetyl chloride; 6-methyl-1H-quinazolin-4-one CAS Name: 2-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]acetyl chloride; 6-methyl-1H-quinazolin-4-one IUPAC Name: 2-[4-(butylcarbamoylsulfamoyl)phenyl]acetyl chloride; 6-methyl-1H-quinazolin-4-one Traditional Name: 2-[4-(butylcarbamoylsulfamoyl)phenyl]acetyl chloride; 6-methyl-1H-quinazolin-4-one Formula: C22H25ClN4O5S MolecularWeight: 492.9757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)CC(=O)Cl.CC1=CC2=C(C=C1)NC=NC2=O

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)CC(=O)Cl.CC1=CC2=C(C=C1)NC=NC2=O

InChI

InChI=1S/C13H17ClN2O4S.C9H8N2O/c1-2-3-8-15-13(18)16-21(19,20)11-6-4-10(5-7-11)9-12(14)17;1-6-2-3-8-7(4-6)9(12)11-5-10-8/h4-7H,2-3,8-9H2,1H3,(H2,15,16,18);2-5H,1H3,(H,10,11,12)