[(3S)-1-phenyl-5-(phenylsulfonyl)hexan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(3S)-1-phenyl-5-(phenylsulfonyl)hexan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-3-(benzenesulfonyl)-1-phenethyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3S)-5-(benzenesulfonyl)-1-phenylhexan-3-yl] ester IUPAC Name: [(3S)-5-(benzenesulfonyl)-1-phenylhexan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-3-besyl-1-phenethyl-butyl] ester Formula: C25H28O5S2 MolecularWeight: 472.61682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCC2=CC=CC=C2)CC(C)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](CCC2=CC=CC=C2)CC(C)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H28O5S2/c1-20-13-17-25(18-14-20)32(28,29)30-23(16-15-22-9-5-3-6-10-22)19-21(2)31(26,27)24-11-7-4-8-12-24/h3-14,17-18,21,23H,15-16,19H2,1-2H3/t21?,23-/m0/s1