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

Systemtic Name: 2-[[2-ethynyl-4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid Openeye Name: 2-[[2-ethynyl-4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-phenyl-pent-4-ynoic acid CAS Name: 2-[[2-ethynyl-4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid IUPAC Name: 2-[[2-ethynyl-4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-phenylpent-4-ynoic acid Traditional Name: 2-[[2-ethynyl-4-(4-methoxyphenyl)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)C2=CC(=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)O)C#C

Isomeric SMILES

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

InChI

InChI=1S/C26H21NO5S/c1-3-20-18-22(21-12-15-23(32-2)16-13-21)14-17-25(20)33(30,31)27-24(26(28)29)11-7-10-19-8-5-4-6-9-19/h1,4-6,8-9,12-18,24,27H,11H2,2H3,(H,28,29)