[1-[3-(5,6-dimethoxynaphthalen-1-yl)-2-oxidanyl-propyl]pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [1-[3-(5,6-dimethoxynaphthalen-1-yl)-2-oxidanyl-propyl]pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [1-[3-(5,6-dimethoxy-1-naphthyl)-2-hydroxy-propyl]pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[3-(5,6-dimethoxy-1-naphthalenyl)-2-hydroxypropyl]-3-pyrrolidinyl]methyl ester IUPAC Name: [1-[3-(5,6-dimethoxynaphthalen-1-yl)-2-hydroxypropyl]pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-[3-(5,6-dimethoxy-1-naphthyl)-2-hydroxy-propyl]pyrrolidin-3-yl]methyl ester Formula: C27H33NO6S MolecularWeight: 499.61902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(C2)CC(CC3=CC=CC4=C3C=CC(=C4OC)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(C2)CC(CC3=CC=CC4=C3C=CC(=C4OC)OC)O

InChI

InChI=1S/C27H33NO6S/c1-19-7-9-23(10-8-19)35(30,31)34-18-20-13-14-28(16-20)17-22(29)15-21-5-4-6-25-24(21)11-12-26(32-2)27(25)33-3/h4-12,20,22,29H,13-18H2,1-3H3