2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide

Systemtic Name: 2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: 2-cyano-3-[5-[(p-tolylsulfonylamino)methyl]-2-furyl]-N-(3-pyridylmethyl)prop-2-enamide CAS Name: 2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]-2-furanyl]-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: 2-cyano-3-[5-[[(4-methylphenyl)sulfonylamino]methyl]furan-2-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: 2-cyano-N-(3-pyridylmethyl)-3-[5-[(tosylamino)methyl]-2-furyl]acrylamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(O2)C=C(C#N)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(O2)C=C(C#N)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H20N4O4S/c1-16-4-8-21(9-5-16)31(28,29)26-15-20-7-6-19(30-20)11-18(12-23)22(27)25-14-17-3-2-10-24-13-17/h2-11,13,26H,14-15H2,1H3,(H,25,27)