N-(2-cyanoethyl)-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-N-methyl-3-nitro-benzenesulfonamide CAS Name: N-(2-cyanoethyl)-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(2-cyanoethyl)-N-methyl-3-nitro-benzenesulfonamide Formula: C10H11N3O4S MolecularWeight: 269.27704

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)S(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

CN(CCC#N)S(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O4S/c1-12(7-3-6-11)18(16,17)10-5-2-4-9(8-10)13(14)15/h2,4-5,8H,3,7H2,1H3