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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(diethylsulfamoyl)phenyl]-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(diethylsulfamoyl)phenyl]acrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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)N2CCCCCC2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C21H30N2O5S/c1-3-23(4-2)29(26,27)19-12-9-18(10-13-19)11-14-21(25)28-17-20(24)22-15-7-5-6-8-16-22/h9-14H,3-8,15-17H2,1-2H3/b14-11+