3-nitro-4-(2-pyridin-2-ylethylamino)benzenesulfonamide

Systemtic Name: 3-nitro-4-(2-pyridin-2-ylethylamino)benzenesulfonamide Openeye Name: 3-nitro-4-[2-(2-pyridyl)ethylamino]benzenesulfonamide CAS Name: 3-nitro-4-[2-(2-pyridinyl)ethylamino]benzenesulfonamide IUPAC Name: 3-nitro-4-(2-pyridin-2-ylethylamino)benzenesulfonamide Traditional Name: 3-nitro-4-[2-(2-pyridyl)ethylamino]benzenesulfonamide Formula: C13H14N4O4S MolecularWeight: 322.33966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

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