3,4-dimethyl-N-(methylsulfamoyl)-N-nitro-2-(3-oxidanylpropyl)benzamide

Systemtic Name: 3,4-dimethyl-N-(methylsulfamoyl)-N-nitro-2-(3-oxidanylpropyl)benzamide Openeye Name: 2-(3-hydroxypropyl)-3,4-dimethyl-N-(methylsulfamoyl)-N-nitro-benzamide CAS Name: 2-(3-hydroxypropyl)-3,4-dimethyl-N-(methylsulfamoyl)-N-nitrobenzamide IUPAC Name: 2-(3-hydroxypropyl)-3,4-dimethyl-N-(methylsulfamoyl)-N-nitrobenzamide Traditional Name: 2-(3-hydroxypropyl)-3,4-dimethyl-N-(methylsulfamoyl)-N-nitro-benzamide Formula: C13H19N3O6S MolecularWeight: 345.37146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O6S/c1-9-6-7-12(11(10(9)2)5-4-8-17)13(18)15(16(19)20)23(21,22)14-3/h6-7,14,17H,4-5,8H2,1-3H3