2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-6-morpholin-4-yl-hex-4-ynoic acid

Systemtic Name: 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-6-morpholin-4-yl-hex-4-ynoic acid Openeye Name: 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-6-morpholino-hex-4-ynoic acid CAS Name: 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-6-(4-morpholinyl)-4-hexynoic acid IUPAC Name: 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoic acid Traditional Name: 2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]-6-morpholino-hex-4-ynoic acid Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C#CC2=CC=C(C=C2)S(=O)(=O)NC(CC#CCN3CCOCC3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C#CC2=CC=C(C=C2)S(=O)(=O)NC(CC#CCN3CCOCC3)C(=O)O

InChI

InChI=1S/C25H26N2O6S/c1-32-22-11-7-20(8-12-22)5-6-21-9-13-23(14-10-21)34(30,31)26-24(25(28)29)4-2-3-15-27-16-18-33-19-17-27/h7-14,24,26H,4,15-19H2,1H3,(H,28,29)