3-[[4-[2-(2-methyl-5-propan-2-yl-phenoxy)ethanoylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[2-(2-methyl-5-propan-2-yl-phenoxy)ethanoylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[2-(5-isopropyl-2-methyl-phenoxy)acetyl]amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[2-(2-methyl-5-propan-2-ylphenoxy)-1-oxoethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[2-(5-isopropyl-2-methyl-phenoxy)acetyl]amino]phenyl]sulfonylamino]propionic acid Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C21H26N2O6S/c1-14(2)16-5-4-15(3)19(12-16)29-13-20(24)23-17-6-8-18(9-7-17)30(27,28)22-11-10-21(25)26/h4-9,12,14,22H,10-11,13H2,1-3H3,(H,23,24)(H,25,26)