[(3S,4R)-4-oxidanyl-1-(phenylcarbonyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3S,4R)-4-oxidanyl-1-(phenylcarbonyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3S,4R)-1-benzoyl-4-hydroxy-pyrrolidin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S,4R)-1-benzoyl-4-hydroxy-3-pyrrolidinyl] ester IUPAC Name: [(3S,4R)-1-benzoyl-4-hydroxypyrrolidin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S,4R)-1-benzoyl-4-hydroxy-pyrrolidin-3-yl] ester Formula: C18H19NO5S MolecularWeight: 361.41216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CN(CC2O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CN(C[C@H]2O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19NO5S/c1-13-7-9-15(10-8-13)25(22,23)24-17-12-19(11-16(17)20)18(21)14-5-3-2-4-6-14/h2-10,16-17,20H,11-12H2,1H3/t16-,17+/m1/s1