2-methoxy-5-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide

Systemtic Name: 2-methoxy-5-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide Openeye Name: 2-methoxy-5-nitro-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzenesulfonamide CAS Name: 2-methoxy-5-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide IUPAC Name: 2-methoxy-5-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzenesulfonamide Traditional Name: 2-methoxy-5-nitro-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzenesulfonamide Formula: C19H14N2O5S2 MolecularWeight: 414.45486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

InChI

InChI=1S/C19H14N2O5S2/c1-26-18-10-8-16(21(22)23)13-19(18)28(24,25)20-15-5-2-4-14(12-15)7-9-17-6-3-11-27-17/h2-6,8,10-13,20H,1H3