2-(2,6-dimethylphenoxy)ethyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid 2-(2,6-dimethylphenoxy)ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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