3-[[4-[2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanoylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanoylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[2-(4-allyl-2-methoxy-phenoxy)acetyl]amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[2-(2-methoxy-4-prop-2-enylphenoxy)-1-oxoethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[2-(4-allyl-2-methoxy-phenoxy)acetyl]amino]phenyl]sulfonylamino]propionic acid Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C21H24N2O7S/c1-3-4-15-5-10-18(19(13-15)29-2)30-14-20(24)23-16-6-8-17(9-7-16)31(27,28)22-12-11-21(25)26/h3,5-10,13,22H,1,4,11-12,14H2,2H3,(H,23,24)(H,25,26)