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

Systemtic Name: methyl 2-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[5-(1-piperidylsulfonyl)-2-thienyl]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzoate Traditional Name: 2-[[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=C1NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H22N2O5S2/c1-26-19(23)15-7-3-4-8-16(15)20-17(22)13-14-9-10-18(27-14)28(24,25)21-11-5-2-6-12-21/h3-4,7-10H,2,5-6,11-13H2,1H3,(H,20,22)