methyl 3-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]ethynyl]benzoic acid methyl ester Formula: C24H19NO6S MolecularWeight: 449.47576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H19NO6S/c1-29-24(26)19-6-2-4-17(14-19)8-9-18-5-3-7-20(15-18)25-32(27,28)21-10-11-22-23(16-21)31-13-12-30-22/h2-7,10-11,14-16,25H,12-13H2,1H3