3-nitro-4-oxidanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide

Systemtic Name: 3-nitro-4-oxidanyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide Openeye Name: 4-hydroxy-3-nitro-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzenesulfonamide CAS Name: 4-hydroxy-3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide IUPAC Name: 4-hydroxy-3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide Traditional Name: 4-hydroxy-3-nitro-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzenesulfonamide Formula: C18H12N2O5S2 MolecularWeight: 400.42828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])C#CC3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])C#CC3=CC=CS3

InChI

InChI=1S/C18H12N2O5S2/c21-18-9-8-16(12-17(18)20(22)23)27(24,25)19-14-4-1-3-13(11-14)6-7-15-5-2-10-26-15/h1-5,8-12,19,21H