[2-(trifluoromethyl)phenyl]methyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(trifluoromethyl)phenyl]methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-(trifluoromethyl)benzyl] ester Formula: C21H22F3NO4S MolecularWeight: 441.46389

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H22F3NO4S/c22-21(23,24)19-11-4-3-8-17(19)15-29-20(26)16-9-7-10-18(14-16)30(27,28)25-12-5-1-2-6-13-25/h3-4,7-11,14H,1-2,5-6,12-13,15H2