methyl 3-(methylsulfamoyl)-4-(2-phenylethynyl)benzoate

Systemtic Name: methyl 3-(methylsulfamoyl)-4-(2-phenylethynyl)benzoate Openeye Name: methyl 3-(methylsulfamoyl)-4-(2-phenylethynyl)benzoate CAS Name: 3-(methylsulfamoyl)-4-(2-phenylethynyl)benzoic acid methyl ester IUPAC Name: methyl 3-(methylsulfamoyl)-4-(2-phenylethynyl)benzoate Traditional Name: 3-(methylsulfamoyl)-4-(2-phenylethynyl)benzoic acid methyl ester Formula: C17H15NO4S MolecularWeight: 329.3703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OC)C#CC2=CC=CC=C2

Isomeric SMILES

CNS(=O)(=O)C1=C(C=CC(=C1)C(=O)OC)C#CC2=CC=CC=C2

InChI

InChI=1S/C17H15NO4S/c1-18-23(20,21)16-12-15(17(19)22-2)11-10-14(16)9-8-13-6-4-3-5-7-13/h3-7,10-12,18H,1-2H3