methyl 7-[[(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoyl]amino]heptanoate

Systemtic Name: methyl 7-[[(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoyl]amino]heptanoate Openeye Name: methyl 7-[[(E)-3-[4-(2-furylmethylsulfamoyl)phenyl]prop-2-enoyl]amino]heptanoate CAS Name: 7-[[(E)-3-[4-(2-furanylmethylsulfamoyl)phenyl]-1-oxoprop-2-enyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoyl]amino]heptanoate Traditional Name: 7-[[(E)-3-[4-(2-furfurylsulfamoyl)phenyl]acryloyl]amino]enanthic acid methyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C=CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CO2

Isomeric SMILES

COC(=O)CCCCCCNC(=O)/C=C/C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CO2

InChI

InChI=1S/C22H28N2O6S/c1-29-22(26)8-4-2-3-5-15-23-21(25)14-11-18-9-12-20(13-10-18)31(27,28)24-17-19-7-6-16-30-19/h6-7,9-14,16,24H,2-5,8,15,17H2,1H3,(H,23,25)/b14-11+