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

Systemtic Name: methyl 2-fluoranyl-5-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethanoylamino]benzoate Openeye Name: methyl 2-fluoro-5-[[2-[5-(1-piperidylsulfonyl)-2-thienyl]acetyl]amino]benzoate CAS Name: 2-fluoro-5-[[1-oxo-2-[5-(1-piperidinylsulfonyl)-2-thiophenyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-fluoro-5-[[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetyl]amino]benzoate Traditional Name: 2-fluoro-5-[[2-(5-piperidinosulfonyl-2-thienyl)acetyl]amino]benzoic acid methyl ester Formula: C19H21FN2O5S2 MolecularWeight: 440.508843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN2O5S2/c1-27-19(24)15-11-13(5-7-16(15)20)21-17(23)12-14-6-8-18(28-14)29(25,26)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10,12H2,1H3,(H,21,23)