(phenylmethyl) 4-[2-(trifluoromethyloxy)phenyl]sulfonyl-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-(trifluoromethyloxy)phenyl]sulfonyl-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane-1-carboxylate CAS Name: 4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C20H21F3N2O5S MolecularWeight: 458.45135

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H21F3N2O5S/c21-20(22,23)30-17-9-4-5-10-18(17)31(27,28)25-12-6-11-24(13-14-25)19(26)29-15-16-7-2-1-3-8-16/h1-5,7-10H,6,11-15H2