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

Systemtic Name: 3-(5-methyl-1H-indol-3-yl)-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]propanoic acid Openeye Name: 3-(5-methyl-1H-indol-3-yl)-2-[[5-[2-(p-tolyl)ethynyl]-2-thienyl]sulfonylamino]propanoic acid CAS Name: 3-(5-methyl-1H-indol-3-yl)-2-[[5-[2-(4-methylphenyl)ethynyl]-2-thiophenyl]sulfonylamino]propanoic acid IUPAC Name: 3-(5-methyl-1H-indol-3-yl)-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]propanoic acid Traditional Name: 3-(5-methyl-1H-indol-3-yl)-2-[[5-[2-(p-tolyl)ethynyl]-2-thienyl]sulfonylamino]propionic acid Formula: C25H22N2O4S2 MolecularWeight: 478.58318

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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)C)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)C)C(=O)O

InChI

InChI=1S/C25H22N2O4S2/c1-16-3-6-18(7-4-16)8-9-20-10-12-24(32-20)33(30,31)27-23(25(28)29)14-19-15-26-22-11-5-17(2)13-21(19)22/h3-7,10-13,15,23,26-27H,14H2,1-2H3,(H,28,29)