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

Systemtic Name: 2-azanyl-3-[2-[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonyl-1H-indol-3-yl]propanoic acid Openeye Name: 2-amino-3-[2-[[5-[2-(p-tolyl)ethynyl]-2-thienyl]sulfonyl]-1H-indol-3-yl]propanoic acid CAS Name: 2-amino-3-[2-[[5-[2-(4-methylphenyl)ethynyl]-2-thiophenyl]sulfonyl]-1H-indol-3-yl]propanoic acid IUPAC Name: 2-amino-3-[2-[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonyl-1H-indol-3-yl]propanoic acid Traditional Name: 2-amino-3-[2-[[5-[2-(p-tolyl)ethynyl]-2-thienyl]sulfonyl]-1H-indol-3-yl]propionic acid Formula: C24H20N2O4S2 MolecularWeight: 464.5566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)C3=C(C4=CC=CC=C4N3)CC(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)C3=C(C4=CC=CC=C4N3)CC(C(=O)O)N

InChI

InChI=1S/C24H20N2O4S2/c1-15-6-8-16(9-7-15)10-11-17-12-13-22(31-17)32(29,30)23-19(14-20(25)24(27)28)18-4-2-3-5-21(18)26-23/h2-9,12-13,20,26H,14,25H2,1H3,(H,27,28)