methyl 3-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H23N3O5S2/c1-28-20(25)15-6-5-7-16(12-15)22-18(24)14-29-19-9-8-17(13-21-19)30(26,27)23-10-3-2-4-11-23/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,22,24)