dimethyl 5-[2-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-oxidanyl-pyrrolidin-2-yl]carbonyloxyethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-oxidanyl-pyrrolidin-2-yl]carbonyloxyethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxy-pyrrolidine-2-carbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxy-2-pyrrolidinyl]-oxomethoxy]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxypyrrolidine-2-carbonyl]oxyacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-hydroxy-prolyl]oxyacetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C25H26N2O12S MolecularWeight: 578.54514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)COC(=O)C2CC(CN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)COC(=O)[C@@H]2CC(CN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4)O)C(=O)OC

InChI

InChI=1S/C25H26N2O12S/c1-35-23(30)14-7-15(24(31)36-2)9-16(8-14)26-22(29)13-39-25(32)19-10-17(28)12-27(19)40(33,34)18-3-4-20-21(11-18)38-6-5-37-20/h3-4,7-9,11,17,19,28H,5-6,10,12-13H2,1-2H3,(H,26,29)/t17?,19-/m0/s1