methyl 3-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[5-(1-piperidylsulfonyl)-2-thienyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(5-piperidinosulfonyl-2-thienyl)acetyl]amino]benzoic acid methyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H22N2O5S2/c1-26-19(23)14-6-5-7-15(12-14)20-17(22)13-16-8-9-18(27-16)28(24,25)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11,13H2,1H3,(H,20,22)