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

Systemtic Name: N-(2-cyanoethyl)-4-methyl-N,3-dinitro-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-4-methyl-N,3-dinitro-benzenesulfonamide CAS Name: N-(2-cyanoethyl)-4-methyl-N,3-dinitrobenzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-4-methyl-N,3-dinitrobenzenesulfonamide Traditional Name: N-(2-cyanoethyl)-4-methyl-N,3-dinitro-benzenesulfonamide Formula: C10H10N4O6S MolecularWeight: 314.2746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N4O6S/c1-8-3-4-9(7-10(8)13(15)16)21(19,20)12(14(17)18)6-2-5-11/h3-4,7H,2,6H2,1H3