[(3R)-1-naphthalen-2-ylcarbonylpyrrolidin-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3R)-1-naphthalen-2-ylcarbonylpyrrolidin-3-yl] 4-methylbenzenesulfonate Openeye Name: [(3R)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R)-1-[2-naphthalenyl(oxo)methyl]-3-pyrrolidinyl] ester IUPAC Name: [(3R)-1-(naphthalene-2-carbonyl)pyrrolidin-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R)-1-(2-naphthoyl)pyrrolidin-3-yl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCN(C2)C(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CCN(C2)C(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H21NO4S/c1-16-6-10-21(11-7-16)28(25,26)27-20-12-13-23(15-20)22(24)19-9-8-17-4-2-3-5-18(17)14-19/h2-11,14,20H,12-13,15H2,1H3/t20-/m1/s1