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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCN2CCCC(C2)COS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCCCN2CCCC(C2)COS(=O)(=O)C3=CC=CC=C3

InChI

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