[(3R,5R)-5-(hydroxymethyl)-1-(phenylmethyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3R,5R)-5-(hydroxymethyl)-1-(phenylmethyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3R,5R)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R,5R)-5-(hydroxymethyl)-1-(phenylmethyl)-3-pyrrolidinyl] ester IUPAC Name: [(3R,5R)-1-benzyl-5-(hydroxymethyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R,5R)-1-benzyl-5-methylol-pyrrolidin-3-yl] ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(N(C2)CC3=CC=CC=C3)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2C[C@@H](N(C2)CC3=CC=CC=C3)CO

InChI

InChI=1S/C19H23NO4S/c1-15-7-9-19(10-8-15)25(22,23)24-18-11-17(14-21)20(13-18)12-16-5-3-2-4-6-16/h2-10,17-18,21H,11-14H2,1H3/t17-,18-/m1/s1