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

Systemtic Name: N-(2-cyanoethyl)-2-nitro-N-propyl-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-2-nitro-N-propyl-benzenesulfonamide CAS Name: N-(2-cyanoethyl)-2-nitro-N-propylbenzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-2-nitro-N-propylbenzenesulfonamide Traditional Name: N-(2-cyanoethyl)-2-nitro-N-propyl-benzenesulfonamide Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4S/c1-2-9-14(10-5-8-13)20(18,19)12-7-4-3-6-11(12)15(16)17/h3-4,6-7H,2,5,9-10H2,1H3