4-chloranyl-N-(3-methyl-1-oxidanyl-pentan-2-yl)-1,2,3-benzoxadiazole-7-sulfonamide

Systemtic Name: 4-chloranyl-N-(3-methyl-1-oxidanyl-pentan-2-yl)-1,2,3-benzoxadiazole-7-sulfonamide Openeye Name: 4-chloro-N-[1-(hydroxymethyl)-2-methyl-butyl]-1,2,3-benzoxadiazole-7-sulfonamide CAS Name: 4-chloro-N-(1-hydroxy-3-methylpentan-2-yl)-1,2,3-benzoxadiazole-7-sulfonamide IUPAC Name: 4-chloro-N-(1-hydroxy-3-methylpentan-2-yl)-1,2,3-benzoxadiazole-7-sulfonamide Traditional Name: 4-chloro-N-(2-methyl-1-methylol-butyl)-1,2,3-benzoxadiazole-7-sulfonamide Formula: C12H16ClN3O4S MolecularWeight: 333.79114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CO)NS(=O)(=O)C1=C2C(=C(C=C1)Cl)N=NO2

Isomeric SMILES

CCC(C)C(CO)NS(=O)(=O)C1=C2C(=C(C=C1)Cl)N=NO2

InChI

InChI=1S/C12H16ClN3O4S/c1-3-7(2)9(6-17)15-21(18,19)10-5-4-8(13)11-12(10)20-16-14-11/h4-5,7,9,15,17H,3,6H2,1-2H3