(3,5-dimethylphenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate

Systemtic Name: (3,5-dimethylphenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: (3,5-dimethylphenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinecarboxylic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylic acid (3,5-dimethylbenzyl) ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C2CCCN2S(=O)(=O)C3=CC4=C(C=C3)OCCO4)C

InChI

InChI=1S/C22H25NO6S/c1-15-10-16(2)12-17(11-15)14-29-22(24)19-4-3-7-23(19)30(25,26)18-5-6-20-21(13-18)28-9-8-27-20/h5-6,10-13,19H,3-4,7-9,14H2,1-2H3