2-(3-methylphenoxy)ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate

Systemtic Name: 2-(3-methylphenoxy)ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: 2-(3-methylphenoxy)ethyl 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 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl 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 2-(3-methylphenoxy)ethyl ester Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO7S/c1-16-4-2-5-17(14-16)27-10-13-30-22(24)19-6-3-9-23(19)31(25,26)18-7-8-20-21(15-18)29-12-11-28-20/h2,4-5,7-8,14-15,19H,3,6,9-13H2,1H3