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

Systemtic Name: [1-[3-(4-methoxyphenoxy)propyl]piperidin-2-yl]methyl benzenesulfonate Openeye Name: [1-[3-(4-methoxyphenoxy)propyl]-2-piperidyl]methyl benzenesulfonate CAS Name: benzenesulfonic acid [1-[3-(4-methoxyphenoxy)propyl]-2-piperidinyl]methyl ester IUPAC Name: [1-[3-(4-methoxyphenoxy)propyl]piperidin-2-yl]methyl benzenesulfonate Traditional Name: benzenesulfonic acid [1-[3-(4-methoxyphenoxy)propyl]-2-piperidyl]methyl ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCN2CCCCC2COS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)OCCCN2CCCCC2COS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29NO5S/c1-26-20-11-13-21(14-12-20)27-17-7-16-23-15-6-5-8-19(23)18-28-29(24,25)22-9-3-2-4-10-22/h2-4,9-14,19H,5-8,15-18H2,1H3