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

Systemtic Name: N-(2-hydroxyethyl)-4-methyl-N,3-dinitro-benzenesulfonamide Openeye Name: N-(2-hydroxyethyl)-4-methyl-N,3-dinitro-benzenesulfonamide CAS Name: N-(2-hydroxyethyl)-4-methyl-N,3-dinitrobenzenesulfonamide IUPAC Name: N-(2-hydroxyethyl)-4-methyl-N,3-dinitrobenzenesulfonamide Traditional Name: N-(2-hydroxyethyl)-4-methyl-N,3-dinitro-benzenesulfonamide Formula: C9H11N3O7S MolecularWeight: 305.26454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N3O7S/c1-7-2-3-8(6-9(7)11(14)15)20(18,19)10(4-5-13)12(16)17/h2-3,6,13H,4-5H2,1H3