N-methyl-N-(2-methylbutyl)-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-methyl-N-(2-methylbutyl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: 4-hydroxy-N-methyl-N-(2-methylbutyl)-3-nitro-benzenesulfonamide CAS Name: 4-hydroxy-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-hydroxy-N-methyl-N-(2-methylbutyl)-3-nitrobenzenesulfonamide Traditional Name: 4-hydroxy-N-methyl-N-(2-methylbutyl)-3-nitro-benzenesulfonamide Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O5S/c1-4-9(2)8-13(3)20(18,19)10-5-6-12(15)11(7-10)14(16)17/h5-7,9,15H,4,8H2,1-3H3