2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-3-(7-oxidanyl-1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-3-(7-oxidanyl-1H-indol-3-yl)propanoic acid Openeye Name: 3-(7-hydroxy-1H-indol-3-yl)-2-[[5-[2-(p-tolyl)ethynyl]-2-thienyl]sulfonylamino]propanoic acid CAS Name: 3-(7-hydroxy-1H-indol-3-yl)-2-[[5-[2-(4-methylphenyl)ethynyl]-2-thiophenyl]sulfonylamino]propanoic acid IUPAC Name: 3-(7-hydroxy-1H-indol-3-yl)-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]propanoic acid Traditional Name: 3-(7-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=CC=C4O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)NC(CC3=CNC4=C3C=CC=C4O)C(=O)O

InChI

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