N-(4-methylpentan-2-yl)-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-(4-methylpentan-2-yl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: N-(1,3-dimethylbutyl)-4-hydroxy-3-nitro-benzenesulfonamide CAS Name: 4-hydroxy-N-(4-methylpentan-2-yl)-3-nitrobenzenesulfonamide IUPAC Name: 4-hydroxy-N-(4-methylpentan-2-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(1,3-dimethylbutyl)-4-hydroxy-3-nitro-benzenesulfonamide Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O5S/c1-8(2)6-9(3)13-20(18,19)10-4-5-12(15)11(7-10)14(16)17/h4-5,7-9,13,15H,6H2,1-3H3