N-(2-cyanoethyl)-2-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-2-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-N-isopropyl-2-nitro-benzenesulfonamide CAS Name: N-(2-cyanoethyl)-2-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-2-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-(2-cyanoethyl)-N-isopropyl-2-nitro-benzenesulfonamide Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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