methyl 5-[[4-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[(4-triflyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C13H17F3N2O5S MolecularWeight: 370.34469

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)S(=O)(=O)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C13H17F3N2O5S/c1-22-12(19)11-4-3-10(23-11)9-17-5-2-6-18(8-7-17)24(20,21)13(14,15)16/h3-4H,2,5-9H2,1H3