2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonyl-propan-2-yloxy-amino]ethanoic acid

Systemtic Name: 2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonyl-propan-2-yloxy-amino]ethanoic acid Openeye Name: 2-[[5-[2-(4-butylphenyl)ethynyl]-2-thienyl]sulfonyl-isopropoxy-amino]acetic acid CAS Name: 2-[[5-[2-(4-butylphenyl)ethynyl]-2-thiophenyl]sulfonyl-propan-2-yloxyamino]acetic acid IUPAC Name: 2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonyl-propan-2-yloxyamino]acetic acid Traditional Name: 2-[[5-[2-(4-butylphenyl)ethynyl]-2-thienyl]sulfonyl-isopropoxy-amino]acetic acid Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)N(CC(=O)O)OC(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)N(CC(=O)O)OC(C)C

InChI

InChI=1S/C21H25NO5S2/c1-4-5-6-17-7-9-18(10-8-17)11-12-19-13-14-21(28-19)29(25,26)22(15-20(23)24)27-16(2)3/h7-10,13-14,16H,4-6,15H2,1-3H3,(H,23,24)