4-[3-bromanyl-4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-5-chloranyl-phenyl]carbonyl-N,N-dimethyl-benzamide

Systemtic Name: 4-[3-bromanyl-4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-5-chloranyl-phenyl]carbonyl-N,N-dimethyl-benzamide Openeye Name: 4-[3-bromo-5-chloro-4-[ethoxy(sec-butylsulfanyl)phosphoryl]oxy-benzoyl]-N,N-dimethyl-benzamide CAS Name: 4-[[3-bromo-4-[(butan-2-ylthio)-ethoxyphosphoryl]oxy-5-chlorophenyl]-oxomethyl]-N,N-dimethylbenzamide IUPAC Name: 4-[3-bromo-4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]oxy-5-chlorobenzoyl]-N,N-dimethylbenzamide Traditional Name: 4-[3-bromo-5-chloro-4-[ethoxy-(sec-butylthio)phosphoryl]oxy-benzoyl]-N,N-dimethyl-benzamide Formula: C22H26BrClNO5PS MolecularWeight: 562.841301

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SP(=O)(OCC)OC1=C(C=C(C=C1Br)C(=O)C2=CC=C(C=C2)C(=O)N(C)C)Cl

Isomeric SMILES

CCC(C)SP(=O)(OCC)OC1=C(C=C(C=C1Br)C(=O)C2=CC=C(C=C2)C(=O)N(C)C)Cl

InChI

InChI=1S/C22H26BrClNO5PS/c1-6-14(3)32-31(28,29-7-2)30-21-18(23)12-17(13-19(21)24)20(26)15-8-10-16(11-9-15)22(27)25(4)5/h8-14H,6-7H2,1-5H3