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

Systemtic Name: 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid Openeye Name: 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid CAS Name: 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid IUPAC Name: 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-5-phenylpent-4-ynoic acid Traditional Name: 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid Formula: C26H21NO5S MolecularWeight: 459.51364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=CC=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=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/C26H21NO5S/c1-32-23-16-12-21(13-17-23)10-11-22-14-18-24(19-15-22)33(30,31)27-25(26(28)29)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,12-19,25,27H,9H2,1H3,(H,28,29)