[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butyric acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H28N2O7S/c1-15-4-3-9-22(13-15)19(23)14-29-20(24)5-2-8-21-30(25,26)16-6-7-17-18(12-16)28-11-10-27-17/h6-7,12,15,21H,2-5,8-11,13-14H2,1H3