(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(2S)-2-methylpiperidino]sulfonylbenzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C19H21NO5S2/c1-14-5-2-3-11-20(14)27(23,24)16-9-7-15(8-10-16)19(22)25-13-17(21)18-6-4-12-26-18/h4,6-10,12,14H,2-3,5,11,13H2,1H3/t14-/m0/s1