N-(2,4-dimethylpentan-3-yl)-2-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylpentan-3-yl)-2-nitro-benzenesulfonamide Openeye Name: N-(1-isopropyl-2-methyl-propyl)-2-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylpentan-3-yl)-2-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylpentan-3-yl)-2-nitrobenzenesulfonamide Traditional Name: N-(1-isopropyl-2-methyl-propyl)-2-nitro-benzenesulfonamide Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4S/c1-9(2)13(10(3)4)14-20(18,19)12-8-6-5-7-11(12)15(16)17/h5-10,13-14H,1-4H3