5-(2-sulfamoylphenyl)pent-4-ynyl ethanoate

Systemtic Name: 5-(2-sulfamoylphenyl)pent-4-ynyl ethanoate Openeye Name: 5-(2-sulfamoylphenyl)pent-4-ynyl acetate CAS Name: acetic acid 5-(2-sulfamoylphenyl)pent-4-ynyl ester IUPAC Name: 5-(2-sulfamoylphenyl)pent-4-ynyl acetate Traditional Name: acetic acid 5-(2-sulfamoylphenyl)pent-4-ynyl ester Formula: C13H15NO4S MolecularWeight: 281.3275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC#CC1=CC=CC=C1S(=O)(=O)N

Isomeric SMILES

CC(=O)OCCCC#CC1=CC=CC=C1S(=O)(=O)N

InChI

InChI=1S/C13H15NO4S/c1-11(15)18-10-6-2-3-7-12-8-4-5-9-13(12)19(14,16)17/h4-5,8-9H,2,6,10H2,1H3,(H2,14,16,17)