phenyl 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanesulfonate

Systemtic Name: phenyl 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanesulfonate Openeye Name: phenyl 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanesulfonate CAS Name: 2-[2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanesulfonate Traditional Name: 2-[2-(2,4-dimethoxyphenyl)pyrrolidino]ethanesulfonic acid phenyl ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2CCS(=O)(=O)OC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2CCCN2CCS(=O)(=O)OC3=CC=CC=C3)OC

InChI

InChI=1S/C20H25NO5S/c1-24-17-10-11-18(20(15-17)25-2)19-9-6-12-21(19)13-14-27(22,23)26-16-7-4-3-5-8-16/h3-5,7-8,10-11,15,19H,6,9,12-14H2,1-2H3