[1-[3-(3,4-dimethoxyphenoxy)propyl]pyrrolidin-3-yl]methyl phenylmethanesulfonate

Systemtic Name: [1-[3-(3,4-dimethoxyphenoxy)propyl]pyrrolidin-3-yl]methyl phenylmethanesulfonate Openeye Name: [1-[3-(3,4-dimethoxyphenoxy)propyl]pyrrolidin-3-yl]methyl phenylmethanesulfonate CAS Name: phenylmethanesulfonic acid [1-[3-(3,4-dimethoxyphenoxy)propyl]-3-pyrrolidinyl]methyl ester IUPAC Name: [1-[3-(3,4-dimethoxyphenoxy)propyl]pyrrolidin-3-yl]methyl phenylmethanesulfonate Traditional Name: phenylmethanesulfonic acid [1-[3-(3,4-dimethoxyphenoxy)propyl]pyrrolidin-3-yl]methyl ester Formula: C23H31NO6S MolecularWeight: 449.56034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OCCCN2CCC(C2)COS(=O)(=O)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)OCCCN2CCC(C2)COS(=O)(=O)CC3=CC=CC=C3)OC

InChI

InChI=1S/C23H31NO6S/c1-27-22-10-9-21(15-23(22)28-2)29-14-6-12-24-13-11-20(16-24)17-30-31(25,26)18-19-7-4-3-5-8-19/h3-5,7-10,15,20H,6,11-14,16-18H2,1-2H3