N-(2-cyanoethyl)-N,3,4-trimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-N,3,4-trimethyl-5-nitro-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-N,3,4-trimethyl-5-nitro-benzenesulfonamide CAS Name: N-(2-cyanoethyl)-N,3,4-trimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-N,3,4-trimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(2-cyanoethyl)-N,3,4-trimethyl-5-nitro-benzenesulfonamide Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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