[(3R)-6-methyl-1-(phenylsulfonyl)heptan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3R)-6-methyl-1-(phenylsulfonyl)heptan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1-[2-(benzenesulfonyl)ethyl]-4-methyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R)-1-(benzenesulfonyl)-6-methylheptan-3-yl] ester IUPAC Name: [(3R)-1-(benzenesulfonyl)-6-methylheptan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-1-(2-besylethyl)-4-methyl-pentyl] ester Formula: C21H28O5S2 MolecularWeight: 424.57402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCC(C)C)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](CCC(C)C)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H28O5S2/c1-17(2)9-12-19(15-16-27(22,23)20-7-5-4-6-8-20)26-28(24,25)21-13-10-18(3)11-14-21/h4-8,10-11,13-14,17,19H,9,12,15-16H2,1-3H3/t19-/m1/s1