N-(2-cyanoethyl)-N-cyclopropyl-2-nitro-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-N-cyclopropyl-2-nitro-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-N-cyclopropyl-2-nitro-benzenesulfonamide CAS Name: N-(2-cyanoethyl)-N-cyclopropyl-2-nitrobenzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-N-cyclopropyl-2-nitrobenzenesulfonamide Traditional Name: N-(2-cyanoethyl)-N-cyclopropyl-2-nitro-benzenesulfonamide Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CCC#N)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CC1N(CCC#N)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4S/c13-8-3-9-14(10-6-7-10)20(18,19)12-5-2-1-4-11(12)15(16)17/h1-2,4-5,10H,3,6-7,9H2