2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid

Systemtic Name: 2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid Openeye Name: 5-phenyl-2-[[4-[2-(p-tolyl)ethynyl]phenyl]sulfonylamino]pent-4-ynoic acid CAS Name: 2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid IUPAC Name: 2-[[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylamino]-5-phenylpent-4-ynoic acid Traditional Name: 5-phenyl-2-[[4-[2-(p-tolyl)ethynyl]phenyl]sulfonylamino]pent-4-ynoic acid Formula: C26H21NO4S MolecularWeight: 443.51424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H21NO4S/c1-20-10-12-22(13-11-20)14-15-23-16-18-24(19-17-23)32(30,31)27-25(26(28)29)9-5-8-21-6-3-2-4-7-21/h2-4,6-7,10-13,16-19,25,27H,9H2,1H3,(H,28,29)