3-nitro-N-[(E)-1-pyridin-4-ylethylideneamino]benzenesulfonamide

Systemtic Name: 3-nitro-N-[(E)-1-pyridin-4-ylethylideneamino]benzenesulfonamide Openeye Name: 3-nitro-N-[(E)-1-(4-pyridyl)ethylideneamino]benzenesulfonamide CAS Name: 3-nitro-N-[(E)-1-pyridin-4-ylethylideneamino]benzenesulfonamide IUPAC Name: 3-nitro-N-[(E)-1-pyridin-4-ylethylideneamino]benzenesulfonamide Traditional Name: 3-nitro-N-[(E)-1-(4-pyridyl)ethylideneamino]benzenesulfonamide Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])C2=CC=NC=C2

Isomeric SMILES

C/C(=N\NS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])/C2=CC=NC=C2

InChI

InChI=1S/C13H12N4O4S/c1-10(11-5-7-14-8-6-11)15-16-22(20,21)13-4-2-3-12(9-13)17(18)19/h2-9,16H,1H3/b15-10+