N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4-nitro-benzenesulfonamide Openeye Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-4-nitro-benzenesulfonamide CAS Name: N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[[2-(dimethylamino)pyridin-3-yl]methyl]-4-nitrobenzenesulfonamide Traditional Name: N-[[2-(dimethylamino)-3-pyridyl]methyl]-4-nitro-benzenesulfonamide Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=N1)CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=CC=N1)CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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