tert-butyl N-[(2R)-2-[6-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-2-oxidanyl-ethyl]carbamate

Systemtic Name: tert-butyl N-[(2R)-2-[6-bromanyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]-2-oxidanyl-ethyl]carbamate Openeye Name: tert-butyl N-[(2R)-2-[6-bromo-1-(p-tolylsulfonyl)indol-3-yl]-2-hydroxy-ethyl]carbamate CAS Name: N-[(2R)-2-[6-bromo-1-(4-methylphenyl)sulfonyl-3-indolyl]-2-hydroxyethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-2-[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]-2-hydroxyethyl]carbamate Traditional Name: N-[(2R)-2-(6-bromo-1-tosyl-indol-3-yl)-2-hydroxy-ethyl]carbamic acid tert-butyl ester Formula: C22H25BrN2O5S MolecularWeight: 509.4133

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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(CNC(=O)OC(C)(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O5S/c1-14-5-8-16(9-6-14)31(28,29)25-13-18(17-10-7-15(23)11-19(17)25)20(26)12-24-21(27)30-22(2,3)4/h5-11,13,20,26H,12H2,1-4H3,(H,24,27)/t20-/m0/s1