[(2R)-3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxy-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxy-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-hydroxy-3-[1-(p-tolylsulfonyl)indol-4-yl]oxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-hydroxy-3-[[1-(4-methylphenyl)sulfonyl-4-indolyl]oxy]propyl] ester IUPAC Name: [(2R)-2-hydroxy-3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-hydroxy-3-(1-tosylindol-4-yl)oxy-propyl] ester Formula: C25H25NO7S2 MolecularWeight: 515.5985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC=C3OCC(COS(=O)(=O)C4=CC=C(C=C4)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C2C=CC=C3OC[C@H](COS(=O)(=O)C4=CC=C(C=C4)C)O

InChI

InChI=1S/C25H25NO7S2/c1-18-6-10-21(11-7-18)34(28,29)26-15-14-23-24(26)4-3-5-25(23)32-16-20(27)17-33-35(30,31)22-12-8-19(2)9-13-22/h3-15,20,27H,16-17H2,1-2H3/t20-/m1/s1