methyl 4-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-morpholinosulfonyl-2-pyridyl)sulfanylmethyl]benzoate CAS Name: 4-[[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-morpholinosulfonyl-2-pyridyl)thio]methyl]benzoic acid methyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H20N2O5S2/c1-24-18(21)15-4-2-14(3-5-15)13-26-17-7-6-16(12-19-17)27(22,23)20-8-10-25-11-9-20/h2-7,12H,8-11,13H2,1H3