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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-[3-(dimethylsulfamoyl)-4-methoxy-phenyl]prop-2-enoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (E)-3-[3-(dimethylsulfamoyl)-4-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-propenoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-(dimethylsulfamoyl)-4-methoxy-phenyl]acrylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C=CC(=O)OCC(=O)N2CCCCCC2)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)N2CCCCCC2)OC

InChI

InChI=1S/C20H28N2O6S/c1-21(2)29(25,26)18-14-16(8-10-17(18)27-3)9-11-20(24)28-15-19(23)22-12-6-4-5-7-13-22/h8-11,14H,4-7,12-13,15H2,1-3H3/b11-9+