3-chloranyl-4-methyl-N-(2-methylbutan-2-yl)-5-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-N-(2-methylbutan-2-yl)-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N-(1,1-dimethylpropyl)-4-methyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-4-methyl-N-(2-methylbutan-2-yl)-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-4-methyl-N-(2-methylbutan-2-yl)-5-nitrobenzenesulfonamide Traditional Name: N-tert-amyl-3-chloro-4-methyl-5-nitro-benzenesulfonamide Formula: C12H17ClN2O4S MolecularWeight: 320.79238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C)Cl

Isomeric SMILES

CCC(C)(C)NS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C12H17ClN2O4S/c1-5-12(3,4)14-20(18,19)9-6-10(13)8(2)11(7-9)15(16)17/h6-7,14H,5H2,1-4H3