N-[[2-(dimethylamino)pyridin-4-yl]methyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-4-yl]methyl]-2-nitro-benzenesulfonamide Openeye Name: N-[[2-(dimethylamino)-4-pyridyl]methyl]-2-nitro-benzenesulfonamide CAS Name: N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[[2-(dimethylamino)pyridin-4-yl]methyl]-2-nitrobenzenesulfonamide Traditional Name: N-[[2-(dimethylamino)-4-pyridyl]methyl]-2-nitro-benzenesulfonamide Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=CC(=C1)CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=NC=CC(=C1)CNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O4S/c1-17(2)14-9-11(7-8-15-14)10-16-23(21,22)13-6-4-3-5-12(13)18(19)20/h3-9,16H,10H2,1-2H3