4-methyl-N,3-dinitro-N-(2-oxidanylpropyl)benzenesulfonamide

Systemtic Name: 4-methyl-N,3-dinitro-N-(2-oxidanylpropyl)benzenesulfonamide Openeye Name: N-(2-hydroxypropyl)-4-methyl-N,3-dinitro-benzenesulfonamide CAS Name: N-(2-hydroxypropyl)-4-methyl-N,3-dinitrobenzenesulfonamide IUPAC Name: N-(2-hydroxypropyl)-4-methyl-N,3-dinitrobenzenesulfonamide Traditional Name: N-(2-hydroxypropyl)-4-methyl-N,3-dinitro-benzenesulfonamide Formula: C10H13N3O7S MolecularWeight: 319.29112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(C)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(C)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O7S/c1-7-3-4-9(5-10(7)12(15)16)21(19,20)11(13(17)18)6-8(2)14/h3-5,8,14H,6H2,1-2H3