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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CCN1C(=O)C2=CC(=C(C(=C2)OC)OS(=O)(=O)C)OC)C3=CC(=CC=C3)OS(=O)(=O)C

Isomeric SMILES

CCC1C(CCN1C(=O)C2=CC(=C(C(=C2)OC)OS(=O)(=O)C)OC)C3=CC(=CC=C3)OS(=O)(=O)C

InChI

InChI=1S/C23H29NO9S2/c1-6-19-18(15-8-7-9-17(12-15)32-34(4,26)27)10-11-24(19)23(25)16-13-20(30-2)22(21(14-16)31-3)33-35(5,28)29/h7-9,12-14,18-19H,6,10-11H2,1-5H3