ethyl 2-oxidanylidene-1-(3-pyridin-3-ylpyrrolidin-3-yl)-2-(3,4,5-trimethoxyphenyl)ethanesulfonate

Systemtic Name: ethyl 2-oxidanylidene-1-(3-pyridin-3-ylpyrrolidin-3-yl)-2-(3,4,5-trimethoxyphenyl)ethanesulfonate Openeye Name: ethyl 2-oxo-1-[3-(3-pyridyl)pyrrolidin-3-yl]-2-(3,4,5-trimethoxyphenyl)ethanesulfonate CAS Name: 2-oxo-1-[3-(3-pyridinyl)-3-pyrrolidinyl]-2-(3,4,5-trimethoxyphenyl)ethanesulfonic acid ethyl ester IUPAC Name: ethyl 2-oxo-1-(3-pyridin-3-ylpyrrolidin-3-yl)-2-(3,4,5-trimethoxyphenyl)ethanesulfonate Traditional Name: 2-keto-1-[3-(3-pyridyl)pyrrolidin-3-yl]-2-(3,4,5-trimethoxyphenyl)ethanesulfonic acid ethyl ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)C(C(=O)C1=CC(=C(C(=C1)OC)OC)OC)C2(CCNC2)C3=CN=CC=C3

Isomeric SMILES

CCOS(=O)(=O)C(C(=O)C1=CC(=C(C(=C1)OC)OC)OC)C2(CCNC2)C3=CN=CC=C3

InChI

InChI=1S/C22H28N2O7S/c1-5-31-32(26,27)21(22(8-10-24-14-22)16-7-6-9-23-13-16)19(25)15-11-17(28-2)20(30-4)18(12-15)29-3/h6-7,9,11-13,21,24H,5,8,10,14H2,1-4H3