N-[3-(2-thiophen-2-ylethynyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-(2-thiophen-2-ylethynyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-[2-(2-thienyl)ethynyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-(2-thiophen-2-ylethynyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-(2-thiophen-2-ylethynyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-[2-(2-thienyl)ethynyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C20H15NO4S2 MolecularWeight: 397.4674

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C20H15NO4S2/c22-27(23,18-8-9-19-20(14-18)25-11-10-24-19)21-16-4-1-3-15(13-16)6-7-17-5-2-12-26-17/h1-5,8-9,12-14,21H,10-11H2