[(1R,2S,4R)-4-(dimethylcarbamoyl)-2-methyl-2-oxidanyl-cyclopentyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,2S,4R)-4-(dimethylcarbamoyl)-2-methyl-2-oxidanyl-cyclopentyl] 4-methylbenzenesulfonate Openeye Name: [(1R,2S,4R)-4-(dimethylcarbamoyl)-2-hydroxy-2-methyl-cyclopentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,2S,4R)-4-[dimethylamino(oxo)methyl]-2-hydroxy-2-methylcyclopentyl] ester IUPAC Name: [(1R,2S,4R)-4-(dimethylcarbamoyl)-2-hydroxy-2-methylcyclopentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2S,4R)-4-(dimethylcarbamoyl)-2-hydroxy-2-methyl-cyclopentyl] ester Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(CC2(C)O)C(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO5S/c1-11-5-7-13(8-6-11)23(20,21)22-14-9-12(10-16(14,2)19)15(18)17(3)4/h5-8,12,14,19H,9-10H2,1-4H3/t12-,14-,16+/m1/s1