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

Systemtic Name: 3-chloranyl-4-methyl-N-(2-methyl-1-oxidanyl-propan-2-yl)-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N-(2-hydroxy-1,1-dimethyl-ethyl)-4-methyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-methyl-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N-(2-hydroxy-1,1-dimethyl-ethyl)-4-methyl-5-nitro-benzenesulfonamide Formula: C11H15ClN2O5S MolecularWeight: 322.7652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC(C)(C)CO)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC(C)(C)CO)Cl

InChI

InChI=1S/C11H15ClN2O5S/c1-7-9(12)4-8(5-10(7)14(16)17)20(18,19)13-11(2,3)6-15/h4-5,13,15H,6H2,1-3H3