(6-chloranylpyridin-3-yl)methyl (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: (6-chloro-3-pyridyl)methyl (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinecarboxylic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylic acid (6-chloro-3-pyridyl)methyl ester Formula: C19H19ClN2O6S MolecularWeight: 438.88196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CN=C(C=C4)Cl

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CN=C(C=C4)Cl

InChI

InChI=1S/C19H19ClN2O6S/c20-18-6-3-13(11-21-18)12-28-19(23)15-2-1-7-22(15)29(24,25)14-4-5-16-17(10-14)27-9-8-26-16/h3-6,10-11,15H,1-2,7-9,12H2/t15-/m0/s1