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

Systemtic Name: (3-methylphenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: m-tolylmethyl 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-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)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-methylbenzyl) ester Formula: C21H23NO6S MolecularWeight: 417.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6S/c1-15-4-2-5-16(12-15)14-28-21(23)18-6-3-9-22(18)29(24,25)17-7-8-19-20(13-17)27-11-10-26-19/h2,4-5,7-8,12-13,18H,3,6,9-11,14H2,1H3