2-(2,5-dimethylphenoxy)ethyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: 2-(2,5-dimethylphenoxy)ethyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: 2-(2,5-dimethylphenoxy)ethyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid 2-(2,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,5-dimethylphenoxy)ethyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid 2-(2,5-dimethylphenoxy)ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCOC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCOC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H25NO5S/c1-16-8-9-17(2)20(14-16)26-12-13-27-21(23)18-6-5-7-19(15-18)28(24,25)22-10-3-4-11-22/h5-9,14-15H,3-4,10-13H2,1-2H3