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[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 4-(azepan-1-ylsulfonyl)benzoate

[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name:[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 4-(azepan-1-ylsulfonyl)benzoate
Openeye Name:[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 4-(azepan-1-ylsulfonyl)benzoate
CAS Name:4-(1-azepanylsulfonyl)benzoic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester
IUPAC Name:[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 4-(azepan-1-ylsulfonyl)benzoate
Traditional Name:4-(azepan-1-ylsulfonyl)benzoic acid [2-keto-2-[3-(trifluoromethyl)phenyl]ethyl] ester
Formula: C22H22F3NO5S
MolecularWeight: 469.47399
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=CC=C3)C(F)(F)F


Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=CC=C3)C(F)(F)F


InChI

InChI=1S/C22H22F3NO5S/c23-22(24,25)18-7-5-6-17(14-18)20(27)15-31-21(28)16-8-10-19(11-9-16)32(29,30)26-12-3-1-2-4-13-26/h5-11,14H,1-4,12-13,15H2


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