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

Systemtic Name: [1-[3-(6-methoxynaphthalen-1-yl)-2-oxidanyl-propyl]pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [1-[2-hydroxy-3-(6-methoxy-1-naphthyl)propyl]pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[2-hydroxy-3-(6-methoxy-1-naphthalenyl)propyl]-3-pyrrolidinyl]methyl ester IUPAC Name: [1-[2-hydroxy-3-(6-methoxynaphthalen-1-yl)propyl]pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-[2-hydroxy-3-(6-methoxy-1-naphthyl)propyl]pyrrolidin-3-yl]methyl ester Formula: C26H31NO5S MolecularWeight: 469.59304

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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(=C4)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(C2)CC(CC3=CC=CC4=C3C=CC(=C4)OC)O

InChI

InChI=1S/C26H31NO5S/c1-19-6-9-25(10-7-19)33(29,30)32-18-20-12-13-27(16-20)17-23(28)14-21-4-3-5-22-15-24(31-2)8-11-26(21)22/h3-11,15,20,23,28H,12-14,16-18H2,1-2H3