3-(diethylcarbamoyl)-4-(3,4-dimethoxyphenyl)-2,6-bis(trifluoromethyl)benzenesulfonate

Systemtic Name: 3-(diethylcarbamoyl)-4-(3,4-dimethoxyphenyl)-2,6-bis(trifluoromethyl)benzenesulfonate Openeye Name: 3-(diethylcarbamoyl)-4-(3,4-dimethoxyphenyl)-2,6-bis(trifluoromethyl)benzenesulfonate CAS Name: 3-[diethylamino(oxo)methyl]-4-(3,4-dimethoxyphenyl)-2,6-bis(trifluoromethyl)benzenesulfonate IUPAC Name: 3-(diethylcarbamoyl)-4-(3,4-dimethoxyphenyl)-2,6-bis(trifluoromethyl)benzenesulfonate Traditional Name: 3-(diethylcarbamoyl)-4-(3,4-dimethoxyphenyl)-2,6-bis(trifluoromethyl)besylate Formula: C21H20F6NO6S- MolecularWeight: 528.442019

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(C=C1C2=CC(=C(C=C2)OC)OC)C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(C=C1C2=CC(=C(C=C2)OC)OC)C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

InChI

InChI=1S/C21H21F6NO6S/c1-5-28(6-2)19(29)16-12(11-7-8-14(33-3)15(9-11)34-4)10-13(20(22,23)24)18(35(30,31)32)17(16)21(25,26)27/h7-10H,5-6H2,1-4H3,(H,30,31,32)/p-1