2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-3-(5-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[5-[2-(p-tolyl)ethynyl]-2-thienyl]sulfonylamino]propanoic acid CAS Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[5-[2-(4-methylphenyl)ethynyl]-2-thiophenyl]sulfonylamino]propanoic acid IUPAC Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]propanoic acid Traditional Name: 3-(5-hydroxy-1H-indol-3-yl)-2-[[5-[2-(p-tolyl)ethynyl]-2-thienyl]sulfonylamino]propionic acid Formula: C24H20N2O5S2 MolecularWeight: 480.556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)NC(CC3=CNC4=C3C=C(C=C4)O)C(=O)O

InChI

InChI=1S/C24H20N2O5S2/c1-15-2-4-16(5-3-15)6-8-19-9-11-23(32-19)33(30,31)26-22(24(28)29)12-17-14-25-21-10-7-18(27)13-20(17)21/h2-5,7,9-11,13-14,22,25-27H,12H2,1H3,(H,28,29)