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

Systemtic Name: [1-(6-methoxynaphthalen-1-yl)-2-oxidanyl-pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-1-(6-methoxy-1-naphthyl)pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-1-(6-methoxy-1-naphthalenyl)-3-pyrrolidinyl]methyl ester IUPAC Name: [2-hydroxy-1-(6-methoxynaphthalen-1-yl)pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-1-(6-methoxy-1-naphthyl)pyrrolidin-3-yl]methyl ester Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(C2O)C3=CC=CC4=C3C=CC(=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(C2O)C3=CC=CC4=C3C=CC(=C4)OC

InChI

InChI=1S/C23H25NO5S/c1-16-6-9-20(10-7-16)30(26,27)29-15-18-12-13-24(23(18)25)22-5-3-4-17-14-19(28-2)8-11-21(17)22/h3-11,14,18,23,25H,12-13,15H2,1-2H3