[(2R)-2-[6-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-2-oxidanyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-2-[6-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-2-oxidanyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-2-[6-bromo-1-(p-tolylsulfonyl)indol-3-yl]-2-hydroxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-[6-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]-2-hydroxyethyl] ester IUPAC Name: [(2R)-2-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]-2-hydroxyethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-2-(6-bromo-1-tosyl-indol-3-yl)-2-hydroxy-ethyl] ester Formula: C24H22BrNO6S2 MolecularWeight: 564.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)Br)C(COS(=O)(=O)C4=CC=C(C=C4)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)Br)[C@H](COS(=O)(=O)C4=CC=C(C=C4)C)O

InChI

InChI=1S/C24H22BrNO6S2/c1-16-3-8-19(9-4-16)33(28,29)26-14-22(21-12-7-18(25)13-23(21)26)24(27)15-32-34(30,31)20-10-5-17(2)6-11-20/h3-14,24,27H,15H2,1-2H3/t24-/m0/s1