N-(2-cyanoethyl)-2-methoxy-N-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-2-methoxy-N-methyl-5-nitro-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-2-methoxy-N-methyl-5-nitro-benzenesulfonamide CAS Name: N-(2-cyanoethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide Traditional Name: N-(2-cyanoethyl)-2-methoxy-N-methyl-5-nitro-benzenesulfonamide Formula: C11H13N3O5S MolecularWeight: 299.30302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O5S/c1-13(7-3-6-12)20(17,18)11-8-9(14(15)16)4-5-10(11)19-2/h4-5,8H,3,7H2,1-2H3