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

Systemtic Name: methyl 3-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H21N3O5S3 MolecularWeight: 455.57144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H21N3O5S3/c1-26-18(23)17-14(7-10-27-17)20-15(22)12-28-16-6-5-13(11-19-16)29(24,25)21-8-3-2-4-9-21/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,20,22)