3,4-dimethyl-N-(2-methyl-1-oxidanyl-propan-2-yl)-5-nitro-benzenesulfonamide

Systemtic Name: 3,4-dimethyl-N-(2-methyl-1-oxidanyl-propan-2-yl)-5-nitro-benzenesulfonamide Openeye Name: N-(2-hydroxy-1,1-dimethyl-ethyl)-3,4-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(1-hydroxy-2-methylpropan-2-yl)-3,4-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(2-hydroxy-1,1-dimethyl-ethyl)-3,4-dimethyl-5-nitro-benzenesulfonamide Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)NC(C)(C)CO

Isomeric SMILES

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)NC(C)(C)CO

InChI

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