[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxylic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylnipecotic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H27N3O7S MolecularWeight: 441.49858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H27N3O7S/c1-13(2)20-19(25)21-17(23)12-29-18(24)14-5-4-10-22(11-14)30(26,27)16-8-6-15(28-3)7-9-16/h6-9,13-14H,4-5,10-12H2,1-3H3,(H2,20,21,23,25)