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

Systemtic Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-thiophen-2-yl-pent-4-ynoic acid Openeye Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(2-thienyl)pent-4-ynoic acid CAS Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-thiophen-2-yl-4-pentynoic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-thiophen-2-ylpent-4-ynoic acid Traditional Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-5-(2-thienyl)pent-4-ynoic acid Formula: C22H19NO5S2 MolecularWeight: 441.51996

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=CS3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC#CC3=CC=CS3)C(=O)O

InChI

InChI=1S/C22H19NO5S2/c1-28-18-11-7-16(8-12-18)17-9-13-20(14-10-17)30(26,27)23-21(22(24)25)6-2-4-19-5-3-15-29-19/h3,5,7-15,21,23H,6H2,1H3,(H,24,25)