5-phenyl-2-[[4-[(5-propylpyridin-2-yl)carbonylamino]phenyl]sulfonylamino]pent-4-ynoic acid

Systemtic Name: 5-phenyl-2-[[4-[(5-propylpyridin-2-yl)carbonylamino]phenyl]sulfonylamino]pent-4-ynoic acid Openeye Name: 5-phenyl-2-[[4-[(5-propylpyridine-2-carbonyl)amino]phenyl]sulfonylamino]pent-4-ynoic acid CAS Name: 2-[[4-[[oxo-(5-propyl-2-pyridinyl)methyl]amino]phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid IUPAC Name: 5-phenyl-2-[[4-[(5-propylpyridine-2-carbonyl)amino]phenyl]sulfonylamino]pent-4-ynoic acid Traditional Name: 5-phenyl-2-[[4-[(5-propylpicolinoyl)amino]phenyl]sulfonylamino]pent-4-ynoic acid Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCC1=CN=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H25N3O5S/c1-2-7-20-12-17-23(27-18-20)25(30)28-21-13-15-22(16-14-21)35(33,34)29-24(26(31)32)11-6-10-19-8-4-3-5-9-19/h3-5,8-9,12-18,24,29H,2,7,11H2,1H3,(H,28,30)(H,31,32)