[1-[2-(3,4-dimethoxyphenoxy)ethyl]pyrrolidin-2-yl]methyl benzenesulfonate

Systemtic Name: [1-[2-(3,4-dimethoxyphenoxy)ethyl]pyrrolidin-2-yl]methyl benzenesulfonate Openeye Name: [1-[2-(3,4-dimethoxyphenoxy)ethyl]pyrrolidin-2-yl]methyl benzenesulfonate CAS Name: benzenesulfonic acid [1-[2-(3,4-dimethoxyphenoxy)ethyl]-2-pyrrolidinyl]methyl ester IUPAC Name: [1-[2-(3,4-dimethoxyphenoxy)ethyl]pyrrolidin-2-yl]methyl benzenesulfonate Traditional Name: benzenesulfonic acid [1-[2-(3,4-dimethoxyphenoxy)ethyl]pyrrolidin-2-yl]methyl ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OCCN2CCCC2COS(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)OCCN2CCCC2COS(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H27NO6S/c1-25-20-11-10-18(15-21(20)26-2)27-14-13-22-12-6-7-17(22)16-28-29(23,24)19-8-4-3-5-9-19/h3-5,8-11,15,17H,6-7,12-14,16H2,1-2H3