N-(2-cyanoethyl)-N,4,5-trimethyl-2-nitro-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-N,4,5-trimethyl-2-nitro-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-N,4,5-trimethyl-2-nitro-benzenesulfonamide CAS Name: N-(2-cyanoethyl)-N,4,5-trimethyl-2-nitrobenzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-N,4,5-trimethyl-2-nitrobenzenesulfonamide Traditional Name: N-(2-cyanoethyl)-N,4,5-trimethyl-2-nitro-benzenesulfonamide Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N(C)CCC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N(C)CCC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O4S/c1-9-7-11(15(16)17)12(8-10(9)2)20(18,19)14(3)6-4-5-13/h7-8H,4,6H2,1-3H3