2-[[4-[(6-cyanopyridin-3-yl)carbonylamino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid

Systemtic Name: 2-[[4-[(6-cyanopyridin-3-yl)carbonylamino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid Openeye Name: 2-[[4-[(6-cyanopyridine-3-carbonyl)amino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid CAS Name: 2-[[4-[[(6-cyano-3-pyridinyl)-oxomethyl]amino]phenyl]sulfonylamino]-6-phenoxy-4-hexynoic acid IUPAC Name: 2-[[4-[(6-cyanopyridine-3-carbonyl)amino]phenyl]sulfonylamino]-6-phenoxyhex-4-ynoic acid Traditional Name: 2-[[4-[(6-cyanonicotinoyl)amino]phenyl]sulfonylamino]-6-phenoxy-hex-4-ynoic acid Formula: C25H20N4O6S MolecularWeight: 504.5145

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC#CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)OCC#CCC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CN=C(C=C3)C#N

InChI

InChI=1S/C25H20N4O6S/c26-16-20-10-9-18(17-27-20)24(30)28-19-11-13-22(14-12-19)36(33,34)29-23(25(31)32)8-4-5-15-35-21-6-2-1-3-7-21/h1-3,6-7,9-14,17,23,29H,8,15H2,(H,28,30)(H,31,32)