(1-bromanyl-3-phenylsulfanyl-propan-2-yl) N-[2,2,2-tris(chloranyl)ethoxysulfonyl]carbamate

Systemtic Name: (1-bromanyl-3-phenylsulfanyl-propan-2-yl) N-[2,2,2-tris(chloranyl)ethoxysulfonyl]carbamate Openeye Name: [1-(bromomethyl)-2-phenylsulfanyl-ethyl] N-(2,2,2-trichloroethoxysulfonyl)carbamate CAS Name: N-(2,2,2-trichloroethoxysulfonyl)carbamic acid [1-bromo-3-(phenylthio)propan-2-yl] ester IUPAC Name: (1-bromo-3-phenylsulfanylpropan-2-yl) N-(2,2,2-trichloroethoxysulfonyl)carbamate Traditional Name: N-(2,2,2-trichloroethoxysulfonyl)carbamic acid [1-(bromomethyl)-2-(phenylthio)ethyl] ester Formula: C12H13BrCl3NO5S2 MolecularWeight: 501.62832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(CBr)OC(=O)NS(=O)(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)SCC(CBr)OC(=O)NS(=O)(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C12H13BrCl3NO5S2/c13-6-9(7-23-10-4-2-1-3-5-10)22-11(18)17-24(19,20)21-8-12(14,15)16/h1-5,9H,6-8H2,(H,17,18)