ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylbenzoate CAS Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]sulfonylbenzoic acid ethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23NO6S/c1-2-26-21(23)15-5-8-17(9-6-15)29(24,25)22-11-3-4-18(22)16-7-10-19-20(14-16)28-13-12-27-19/h5-10,14,18H,2-4,11-13H2,1H3