N-(5-methylhexan-2-yl)-2-nitro-benzenesulfonamide

Systemtic Name: N-(5-methylhexan-2-yl)-2-nitro-benzenesulfonamide Openeye Name: N-(1,4-dimethylpentyl)-2-nitro-benzenesulfonamide CAS Name: N-(5-methylhexan-2-yl)-2-nitrobenzenesulfonamide IUPAC Name: N-(5-methylhexan-2-yl)-2-nitrobenzenesulfonamide Traditional Name: N-(1,4-dimethylpentyl)-2-nitro-benzenesulfonamide Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4S/c1-10(2)8-9-11(3)14-20(18,19)13-7-5-4-6-12(13)15(16)17/h4-7,10-11,14H,8-9H2,1-3H3