methyl 4-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-(2-thienylsulfonyl)-2-piperidyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(1-thiophen-2-ylsulfonyl-2-piperidinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[1-(2-thienylsulfonyl)-2-piperidyl]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=C(C=C1)NC(=O)CC2CCCCN2S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CC2CCCCN2S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H22N2O5S2/c1-26-19(23)14-7-9-15(10-8-14)20-17(22)13-16-5-2-3-11-21(16)28(24,25)18-6-4-12-27-18/h4,6-10,12,16H,2-3,5,11,13H2,1H3,(H,20,22)