[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate

Systemtic Name: [2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Openeye Name: [2-(2-ethyl-1-piperidyl)-2-oxo-ethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoic acid [2-(2-ethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propanoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)propionic acid [2-(2-ethylpiperidino)-2-keto-ethyl] ester Formula: C20H27NO7S MolecularWeight: 425.49588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC1CCCCN1C(=O)COC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H27NO7S/c1-2-15-5-3-4-9-21(15)19(22)14-28-20(23)8-12-29(24,25)16-6-7-17-18(13-16)27-11-10-26-17/h6-7,13,15H,2-5,8-12,14H2,1H3