N-butyl-N-methyl-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-butyl-N-methyl-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: N-butyl-4-hydroxy-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-butyl-4-hydroxy-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-butyl-4-hydroxy-N-methyl-3-nitrobenzenesulfonamide Traditional Name: N-butyl-4-hydroxy-N-methyl-3-nitro-benzenesulfonamide Formula: C11H16N2O5S MolecularWeight: 288.32014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16N2O5S/c1-3-4-7-12(2)19(17,18)9-5-6-11(14)10(8-9)13(15)16/h5-6,8,14H,3-4,7H2,1-2H3