3-(3-cyanophenyl)-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(3-cyanophenyl)-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]propanoic acid Openeye Name: 3-(3-cyanophenyl)-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]propanoic acid CAS Name: 3-(3-cyanophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(3-cyanophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(3-cyanophenyl)-2-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]propionic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(CC2=CC=CC(=C2)C#N)C(=O)O)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC(CC2=CC=CC(=C2)C#N)C(=O)O)C)C)OC

InChI

InChI=1S/C20H22N2O5S/c1-12-8-18(27-4)13(2)14(3)19(12)28(25,26)22-17(20(23)24)10-15-6-5-7-16(9-15)11-21/h5-9,17,22H,10H2,1-4H3,(H,23,24)