3,4-dimethyl-5-nitro-N-(1-oxidanylbutan-2-yl)benzenesulfonamide

Systemtic Name: 3,4-dimethyl-5-nitro-N-(1-oxidanylbutan-2-yl)benzenesulfonamide Openeye Name: N-[1-(hydroxymethyl)propyl]-3,4-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-(1-hydroxybutan-2-yl)-3,4-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(1-hydroxybutan-2-yl)-3,4-dimethyl-5-nitrobenzenesulfonamide Traditional Name: 3,4-dimethyl-N-(1-methylolpropyl)-5-nitro-benzenesulfonamide Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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