[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H21N3O7S MolecularWeight: 387.40814

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC(=O)NCC2=CC=CO2

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC(=O)NCC2=CC=CO2

InChI

InChI=1S/C15H21N3O7S/c1-26(22,23)18-6-4-11(5-7-18)14(20)25-10-13(19)17-15(21)16-9-12-3-2-8-24-12/h2-3,8,11H,4-7,9-10H2,1H3,(H2,16,17,19,21)