methyl 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]acetic acid methyl ester Formula: C14H20N2O4S2 MolecularWeight: 344.4496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

COC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C14H20N2O4S2/c1-20-14(17)11-21-13-7-6-12(10-15-13)22(18,19)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11H2,1H3