2-[1-(3,5-dimethoxy-4-methylsulfonyloxy-phenyl)carbonyl-3-phenyl-pyrrolidin-3-yl]ethyl methanesulfonate

Systemtic Name: 2-[1-(3,5-dimethoxy-4-methylsulfonyloxy-phenyl)carbonyl-3-phenyl-pyrrolidin-3-yl]ethyl methanesulfonate Openeye Name: 2-[1-(3,5-dimethoxy-4-methylsulfonyloxy-benzoyl)-3-phenyl-pyrrolidin-3-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[1-[(3,5-dimethoxy-4-methylsulfonyloxyphenyl)-oxomethyl]-3-phenyl-3-pyrrolidinyl]ethyl ester IUPAC Name: 2-[1-(3,5-dimethoxy-4-methylsulfonyloxybenzoyl)-3-phenylpyrrolidin-3-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[1-(3,5-dimethoxy-4-methylsulfonyloxy-benzoyl)-3-phenyl-pyrrolidin-3-yl]ethyl ester Formula: C23H29NO9S2 MolecularWeight: 527.60766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OS(=O)(=O)C)OC)C(=O)N2CCC(C2)(CCOS(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OS(=O)(=O)C)OC)C(=O)N2CCC(C2)(CCOS(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO9S2/c1-30-19-14-17(15-20(31-2)21(19)33-35(4,28)29)22(25)24-12-10-23(16-24,11-13-32-34(3,26)27)18-8-6-5-7-9-18/h5-9,14-15H,10-13,16H2,1-4H3