2-[3-pyridin-3-yl-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl methanesulfonate

Systemtic Name: 2-[3-pyridin-3-yl-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl methanesulfonate Openeye Name: 2-[3-(3-pyridyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-3-(3-pyridinyl)-3-pyrrolidinyl]ethyl ester IUPAC Name: 2-[3-pyridin-3-yl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[3-(3-pyridyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCOS(=O)(=O)C)C3=CN=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCOS(=O)(=O)C)C3=CN=CC=C3

InChI

InChI=1S/C22H28N2O7S/c1-28-18-12-16(13-19(29-2)20(18)30-3)21(25)24-10-7-22(15-24,8-11-31-32(4,26)27)17-6-5-9-23-14-17/h5-6,9,12-14H,7-8,10-11,15H2,1-4H3