[4-[[(5-nitropyridin-2-yl)amino]methyl]phenyl]methanesulfonamide

Systemtic Name: [4-[[(5-nitropyridin-2-yl)amino]methyl]phenyl]methanesulfonamide Openeye Name: [4-[[(5-nitro-2-pyridyl)amino]methyl]phenyl]methanesulfonamide CAS Name: [4-[[(5-nitro-2-pyridinyl)amino]methyl]phenyl]methanesulfonamide IUPAC Name: [4-[[(5-nitropyridin-2-yl)amino]methyl]phenyl]methanesulfonamide Traditional Name: [4-[[(5-nitro-2-pyridyl)amino]methyl]phenyl]methanesulfonamide Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC=C(C=C2)[N+](=O)[O-])CS(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC=C(C=C2)[N+](=O)[O-])CS(=O)(=O)N

InChI

InChI=1S/C13H14N4O4S/c14-22(20,21)9-11-3-1-10(2-4-11)7-15-13-6-5-12(8-16-13)17(18)19/h1-6,8H,7,9H2,(H,15,16)(H2,14,20,21)