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

Systemtic Name: 3-[[4-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[2-(4-isopropyl-3-methyl-phenoxy)acetyl]amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[2-(3-methyl-4-propan-2-ylphenoxy)-1-oxoethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[2-(4-isopropyl-3-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=CC(=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-14(2)19-9-6-17(12-15(19)3)29-13-20(24)23-16-4-7-18(8-5-16)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)