2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(3-morpholin-4-ylphenyl)pent-4-ynoic acid

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(3-morpholin-4-ylphenyl)pent-4-ynoic acid Openeye Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(3-morpholinophenyl)pent-4-ynoic acid CAS Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-[3-(4-morpholinyl)phenyl]-4-pentynoic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(3-morpholin-4-ylphenyl)pent-4-ynoic acid Traditional Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(3-morpholinophenyl)pent-4-ynoic acid Formula: C28H28N2O6S MolecularWeight: 520.59672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O6S/c1-35-25-12-8-22(9-13-25)23-10-14-26(15-11-23)37(33,34)29-27(28(31)32)7-3-5-21-4-2-6-24(20-21)30-16-18-36-19-17-30/h2,4,6,8-15,20,27,29H,7,16-19H2,1H3,(H,31,32)