4-[2-[(3-nitropyridin-2-yl)amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[(3-nitropyridin-2-yl)amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[(3-nitro-2-pyridyl)amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[(3-nitro-2-pyridinyl)amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[(3-nitropyridin-2-yl)amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[(3-nitro-2-pyridyl)amino]ethyl]benzenesulfonamide Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)NCCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)NCCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

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