methyl 6-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carbonyl]amino]hexanoate CAS Name: 6-[[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carbonyl]amino]hexanoate Traditional Name: 6-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)prolyl]amino]hexanoic acid methyl ester Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1CCCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1CCCN1S(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H28N2O7S/c1-27-19(23)7-3-2-4-10-21-20(24)16-6-5-11-22(16)30(25,26)15-8-9-17-18(14-15)29-13-12-28-17/h8-9,14,16H,2-7,10-13H2,1H3,(H,21,24)