3-nitro-N-(1-oxidanylbutan-2-yl)benzenesulfonamide

Systemtic Name: 3-nitro-N-(1-oxidanylbutan-2-yl)benzenesulfonamide Openeye Name: N-[1-(hydroxymethyl)propyl]-3-nitro-benzenesulfonamide CAS Name: N-(1-hydroxybutan-2-yl)-3-nitrobenzenesulfonamide IUPAC Name: N-(1-hydroxybutan-2-yl)-3-nitrobenzenesulfonamide Traditional Name: N-(1-methylolpropyl)-3-nitro-benzenesulfonamide Formula: C10H14N2O5S MolecularWeight: 274.29356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O5S/c1-2-8(7-13)11-18(16,17)10-5-3-4-9(6-10)12(14)15/h3-6,8,11,13H,2,7H2,1H3