5-phenyl-2-[[4-[(1-pyrrol-1-yl-2H-pyridin-5-yl)carbonylamino]phenyl]sulfonylamino]pent-4-ynoic acid

Systemtic Name: 5-phenyl-2-[[4-[(1-pyrrol-1-yl-2H-pyridin-5-yl)carbonylamino]phenyl]sulfonylamino]pent-4-ynoic acid Openeye Name: 5-phenyl-2-[[4-[(1-pyrrol-1-yl-2H-pyridine-5-carbonyl)amino]phenyl]sulfonylamino]pent-4-ynoic acid CAS Name: 2-[[4-[[oxo-[1-(1-pyrrolyl)-2H-pyridin-5-yl]methyl]amino]phenyl]sulfonylamino]-5-phenyl-4-pentynoic acid IUPAC Name: 5-phenyl-2-[[4-[(1-pyrrol-1-yl-2H-pyridine-5-carbonyl)amino]phenyl]sulfonylamino]pent-4-ynoic acid Traditional Name: 5-phenyl-2-[[4-[(1-pyrrol-1-yl-2H-pyridine-5-carbonyl)amino]phenyl]sulfonylamino]pent-4-ynoic acid Formula: C27H24N4O5S MolecularWeight: 516.56826

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=CN1N2C=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC(CC#CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C=CC(=CN1N2C=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC(CC#CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H24N4O5S/c32-26(22-11-7-19-31(20-22)30-17-4-5-18-30)28-23-13-15-24(16-14-23)37(35,36)29-25(27(33)34)12-6-10-21-8-2-1-3-9-21/h1-5,7-9,11,13-18,20,25,29H,12,19H2,(H,28,32)(H,33,34)