methyl 2-(phenylsulfonylamino)-2-(trifluoromethyl)pent-4-ynoate

Systemtic Name: methyl 2-(phenylsulfonylamino)-2-(trifluoromethyl)pent-4-ynoate Openeye Name: methyl 2-(benzenesulfonamido)-2-(trifluoromethyl)pent-4-ynoate CAS Name: 2-(benzenesulfonamido)-2-(trifluoromethyl)-4-pentynoic acid methyl ester IUPAC Name: methyl 2-(benzenesulfonamido)-2-(trifluoromethyl)pent-4-ynoate Traditional Name: 2-(benzenesulfonamido)-2-(trifluoromethyl)pent-4-ynoic acid methyl ester Formula: C13H12F3NO4S MolecularWeight: 335.29889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#C)(C(F)(F)F)NS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CC#C)(C(F)(F)F)NS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H12F3NO4S/c1-3-9-12(11(18)21-2,13(14,15)16)17-22(19,20)10-7-5-4-6-8-10/h1,4-8,17H,9H2,2H3