[1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]methyl 3-methylbenzenesulfonate

Systemtic Name: [1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]methyl 3-methylbenzenesulfonate Openeye Name: [1-[(4-methoxyphenyl)methyl]-2-oxo-pyrrolidin-3-yl]methyl 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid [1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyrrolidinyl]methyl ester IUPAC Name: [1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]methyl 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid (2-keto-1-p-anisyl-pyrrolidin-3-yl)methyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OCC2CCN(C2=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OCC2CCN(C2=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H23NO5S/c1-15-4-3-5-19(12-15)27(23,24)26-14-17-10-11-21(20(17)22)13-16-6-8-18(25-2)9-7-16/h3-9,12,17H,10-11,13-14H2,1-2H3