2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yl-pent-4-ynoic acid

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-yl-pent-4-ynoic acid Openeye Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(3-pyridyl)pent-4-ynoic acid CAS Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(3-pyridinyl)-4-pentynoic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-pyridin-3-ylpent-4-ynoic acid Traditional Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(3-pyridyl)pent-4-ynoic acid Formula: C23H20N2O5S MolecularWeight: 436.4803

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=CN=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O5S/c1-30-20-11-7-18(8-12-20)19-9-13-21(14-10-19)31(28,29)25-22(23(26)27)6-2-4-17-5-3-15-24-16-17/h3,5,7-16,22,25H,6H2,1H3,(H,26,27)