[(3S)-4,4-dimethyl-1-(phenylmethyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3S)-4,4-dimethyl-1-(phenylmethyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3S)-1-benzyl-4,4-dimethyl-pyrrolidin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S)-4,4-dimethyl-1-(phenylmethyl)-3-pyrrolidinyl] ester IUPAC Name: [(3S)-1-benzyl-4,4-dimethylpyrrolidin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3S)-1-benzyl-4,4-dimethyl-pyrrolidin-3-yl] ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CN(CC2(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CN(CC2(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C20H25NO3S/c1-16-9-11-18(12-10-16)25(22,23)24-19-14-21(15-20(19,2)3)13-17-7-5-4-6-8-17/h4-12,19H,13-15H2,1-3H3/t19-/m1/s1