N-methyl-3-nitro-4-oxidanyl-N-pentan-2-yl-benzenesulfonamide

Systemtic Name: N-methyl-3-nitro-4-oxidanyl-N-pentan-2-yl-benzenesulfonamide Openeye Name: 4-hydroxy-N-methyl-N-(1-methylbutyl)-3-nitro-benzenesulfonamide CAS Name: 4-hydroxy-N-methyl-3-nitro-N-pentan-2-ylbenzenesulfonamide IUPAC Name: 4-hydroxy-N-methyl-3-nitro-N-pentan-2-ylbenzenesulfonamide Traditional Name: 4-hydroxy-N-methyl-N-(1-methylbutyl)-3-nitro-benzenesulfonamide Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O5S/c1-4-5-9(2)13(3)20(18,19)10-6-7-12(15)11(8-10)14(16)17/h6-9,15H,4-5H2,1-3H3