2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(4-morpholin-4-ylphenyl)pent-4-ynoic acid

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(4-morpholin-4-ylphenyl)pent-4-ynoic acid Openeye Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(4-morpholinophenyl)pent-4-ynoic acid CAS Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-[4-(4-morpholinyl)phenyl]-4-pentynoic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(4-morpholin-4-ylphenyl)pent-4-ynoic acid Traditional Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(4-morpholinophenyl)pent-4-ynoic acid Formula: C28H28N2O6S MolecularWeight: 520.59672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=C(C=C3)N4CCOCC4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=C(C=C3)N4CCOCC4)C(=O)O

InChI

InChI=1S/C28H28N2O6S/c1-35-25-13-7-22(8-14-25)23-9-15-26(16-10-23)37(33,34)29-27(28(31)32)4-2-3-21-5-11-24(12-6-21)30-17-19-36-20-18-30/h5-16,27,29H,4,17-20H2,1H3,(H,31,32)