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

Systemtic Name: [1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methyl benzenesulfonate Openeye Name: [1-[3-(3-methylphenoxy)propyl]-2-piperidyl]methyl benzenesulfonate CAS Name: benzenesulfonic acid [1-[3-(3-methylphenoxy)propyl]-2-piperidinyl]methyl ester IUPAC Name: [1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methyl benzenesulfonate Traditional Name: benzenesulfonic acid [1-[3-(3-methylphenoxy)propyl]-2-piperidyl]methyl ester Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCN2CCCCC2COS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCN2CCCCC2COS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29NO4S/c1-19-9-7-11-21(17-19)26-16-8-15-23-14-6-5-10-20(23)18-27-28(24,25)22-12-3-2-4-13-22/h2-4,7,9,11-13,17,20H,5-6,8,10,14-16,18H2,1H3