methyl 5-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H22N2O5S2/c1-24-18(21)16-8-6-14(25-16)13-26-17-9-7-15(12-19-17)27(22,23)20-10-4-2-3-5-11-20/h6-9,12H,2-5,10-11,13H2,1H3