2-(3,5-dimethylphenoxy)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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