[[3-(4-chlorophenyl)-1-methyl-4-oxidanyl-5-oxidanylidene-pyrrolidin-2-yl]-phenyl-methyl] 4-methylbenzenesulfonate

Systemtic Name: [[3-(4-chlorophenyl)-1-methyl-4-oxidanyl-5-oxidanylidene-pyrrolidin-2-yl]-phenyl-methyl] 4-methylbenzenesulfonate Openeye Name: [[3-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-pyrrolidin-2-yl]-phenyl-methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[3-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxo-2-pyrrolidinyl]-phenylmethyl] ester IUPAC Name: [[3-(4-chlorophenyl)-4-hydroxy-1-methyl-5-oxopyrrolidin-2-yl]-phenylmethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[3-(4-chlorophenyl)-4-hydroxy-5-keto-1-methyl-pyrrolidin-2-yl]-phenyl-methyl] ester Formula: C25H24ClNO5S MolecularWeight: 485.97976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2C(C(C(=O)N2C)O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2C(C(C(=O)N2C)O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H24ClNO5S/c1-16-8-14-20(15-9-16)33(30,31)32-24(18-6-4-3-5-7-18)22-21(23(28)25(29)27(22)2)17-10-12-19(26)13-11-17/h3-15,21-24,28H,1-2H3