[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H25N3O6S/c1-13(2)19-18(24)20-16(22)12-27-17(23)14-8-4-5-9-15(14)28(25,26)21-10-6-3-7-11-21/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H2,19,20,22,24)