(1-bromanyl-3-phenylsulfanyl-propan-2-yl) N-(2,4,6-trimethylphenoxy)sulfonylcarbamate

Systemtic Name: (1-bromanyl-3-phenylsulfanyl-propan-2-yl) N-(2,4,6-trimethylphenoxy)sulfonylcarbamate Openeye Name: [1-(bromomethyl)-2-phenylsulfanyl-ethyl] N-(2,4,6-trimethylphenoxy)sulfonylcarbamate CAS Name: N-(2,4,6-trimethylphenoxy)sulfonylcarbamic acid [1-bromo-3-(phenylthio)propan-2-yl] ester IUPAC Name: (1-bromo-3-phenylsulfanylpropan-2-yl) N-(2,4,6-trimethylphenoxy)sulfonylcarbamate Traditional Name: N-(2,4,6-trimethylphenoxy)sulfonylcarbamic acid [1-(bromomethyl)-2-(phenylthio)ethyl] ester Formula: C19H22BrNO5S2 MolecularWeight: 488.41568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OS(=O)(=O)NC(=O)OC(CSC2=CC=CC=C2)CBr)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OS(=O)(=O)NC(=O)OC(CSC2=CC=CC=C2)CBr)C

InChI

InChI=1S/C19H22BrNO5S2/c1-13-9-14(2)18(15(3)10-13)26-28(23,24)21-19(22)25-16(11-20)12-27-17-7-5-4-6-8-17/h4-10,16H,11-12H2,1-3H3,(H,21,22)