methyl 3-[[(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 3-[[(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoyl]amino]benzoate Openeye Name: methyl 3-[[(E)-3-[4-(2-furylmethylsulfamoyl)phenyl]prop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-3-[4-(2-furanylmethylsulfamoyl)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoyl]amino]benzoate Traditional Name: 3-[[(E)-3-[4-(2-furfurylsulfamoyl)phenyl]acryloyl]amino]benzoic acid methyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H20N2O6S/c1-29-22(26)17-4-2-5-18(14-17)24-21(25)12-9-16-7-10-20(11-8-16)31(27,28)23-15-19-6-3-13-30-19/h2-14,23H,15H2,1H3,(H,24,25)/b12-9+