2-(3,5-dimethylphenoxy)ethyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO6S/c1-16-12-17(2)14-19(13-16)28-10-11-29-22(24)18-6-7-20(27-3)21(15-18)30(25,26)23-8-4-5-9-23/h6-7,12-15H,4-5,8-11H2,1-3H3