[1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]methyl benzenesulfonate

Systemtic Name: [1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]methyl benzenesulfonate Openeye Name: [1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]methyl benzenesulfonate CAS Name: benzenesulfonic acid [1-[3-(4-methoxyphenoxy)propyl]-2-pyrrolidinyl]methyl ester IUPAC Name: [1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]methyl benzenesulfonate Traditional Name: benzenesulfonic acid [1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-2-yl]methyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCN2CCCC2COS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OCCCN2CCCC2COS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27NO5S/c1-25-19-10-12-20(13-11-19)26-16-6-15-22-14-5-7-18(22)17-27-28(23,24)21-8-3-2-4-9-21/h2-4,8-13,18H,5-7,14-17H2,1H3