N-(1-cyanopropan-2-yl)-4-nitro-benzenesulfonamide

Systemtic Name: N-(1-cyanopropan-2-yl)-4-nitro-benzenesulfonamide Openeye Name: N-(2-cyano-1-methyl-ethyl)-4-nitro-benzenesulfonamide CAS Name: N-(1-cyanopropan-2-yl)-4-nitrobenzenesulfonamide IUPAC Name: N-(1-cyanopropan-2-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(2-cyano-1-methyl-ethyl)-4-nitro-benzenesulfonamide Formula: C10H11N3O4S MolecularWeight: 269.27704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11N3O4S/c1-8(6-7-11)12-18(16,17)10-4-2-9(3-5-10)13(14)15/h2-5,8,12H,6H2,1H3