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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] (E)-3-[4-(2-furylmethylsulfamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2-furanylmethylsulfamoyl)phenyl]-2-propenoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2-furfurylsulfamoyl)phenyl]acrylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-16(2)11-12-22-20(24)15-29-21(25)10-7-17-5-8-19(9-6-17)30(26,27)23-14-18-4-3-13-28-18/h3-10,13,16,23H,11-12,14-15H2,1-2H3,(H,22,24)/b10-7+