[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (E)-3-[4-(2-furylmethylsulfamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2-furanylmethylsulfamoyl)phenyl]-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2-furfurylsulfamoyl)phenyl]acrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H26N2O6S/c25-21(24-13-3-1-2-4-14-24)17-30-22(26)12-9-18-7-10-20(11-8-18)31(27,28)23-16-19-6-5-15-29-19/h5-12,15,23H,1-4,13-14,16-17H2/b12-9+