[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxylic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H25N3O8S MolecularWeight: 467.4928

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H25N3O8S/c1-2-7-21-20(26)22-18(24)13-31-19(25)14-5-8-23(9-6-14)32(27,28)15-3-4-16-17(12-15)30-11-10-29-16/h2-4,12,14H,1,5-11,13H2,(H2,21,22,24,26)