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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(diethylsulfamoyl)phenyl]-2-propenoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(diethylsulfamoyl)phenyl]acrylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C=CC(=O)OCC(=O)NCCC(C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCCC(C)C

InChI

InChI=1S/C20H30N2O5S/c1-5-22(6-2)28(25,26)18-10-7-17(8-11-18)9-12-20(24)27-15-19(23)21-14-13-16(3)4/h7-12,16H,5-6,13-15H2,1-4H3,(H,21,23)/b12-9+