2-[[2-ethynyl-4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yl-pent-4-ynoic acid

Systemtic Name: 2-[[2-ethynyl-4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yl-pent-4-ynoic acid Openeye Name: 2-[[2-ethynyl-4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(3-pyridyl)pent-4-ynoic acid CAS Name: 2-[[2-ethynyl-4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(3-pyridinyl)-4-pentynoic acid IUPAC Name: 2-[[2-ethynyl-4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-ylpent-4-ynoic acid Traditional Name: 2-[[2-ethynyl-4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(3-pyridyl)pent-4-ynoic acid Formula: C25H20N2O5S MolecularWeight: 460.5017

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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=CN=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=CN=CC=C3)C(=O)O)C#C

InChI

InChI=1S/C25H20N2O5S/c1-3-19-16-21(20-9-12-22(32-2)13-10-20)11-14-24(19)33(30,31)27-23(25(28)29)8-4-6-18-7-5-15-26-17-18/h1,5,7,9-17,23,27H,8H2,2H3,(H,28,29)