[3-[1-[(4-chlorophenyl)sulfonylamino]-4,4,5,5,6,7,7,7-octakis(fluoranyl)-6-(trifluoromethyl)heptyl]thiophen-2-yl] butanoate

Systemtic Name: [3-[1-[(4-chlorophenyl)sulfonylamino]-4,4,5,5,6,7,7,7-octakis(fluoranyl)-6-(trifluoromethyl)heptyl]thiophen-2-yl] butanoate Openeye Name: [3-[1-[(4-chlorophenyl)sulfonylamino]-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptyl]-2-thienyl] butanoate CAS Name: butanoic acid [3-[1-[(4-chlorophenyl)sulfonylamino]-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptyl]-2-thiophenyl] ester IUPAC Name: [3-[1-[(4-chlorophenyl)sulfonylamino]-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptyl]thiophen-2-yl] butanoate Traditional Name: butyric acid [3-[1-[(4-chlorophenyl)sulfonylamino]-4,4,5,5,6,7,7,7-octafluoro-6-(trifluoromethyl)heptyl]-2-thienyl] ester Formula: C22H19ClF11NO4S2 MolecularWeight: 669.955995

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=CS1)C(CCC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC(=O)OC1=C(C=CS1)C(CCC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H19ClF11NO4S2/c1-2-3-16(36)39-17-14(9-11-40-17)15(35-41(37,38)13-6-4-12(23)5-7-13)8-10-18(24,25)20(27,28)19(26,21(29,30)31)22(32,33)34/h4-7,9,11,15,35H,2-3,8,10H2,1H3