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

Systemtic Name: methyl 5-[(4-ethylsulfonyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-ethylsulfonyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(4-ethylsulfonyl-1,4-diazepan-1-yl)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-ethylsulfonyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-esyl-1,4-diazepan-1-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C14H22N2O5S MolecularWeight: 330.39988

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCCN(CC1)CC2=CC=C(O2)C(=O)OC

Isomeric SMILES

CCS(=O)(=O)N1CCCN(CC1)CC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C14H22N2O5S/c1-3-22(18,19)16-8-4-7-15(9-10-16)11-12-5-6-13(21-12)14(17)20-2/h5-6H,3-4,7-11H2,1-2H3