(4-methylsulfanylphenyl)methyl 4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)benzoate Openeye Name: (4-methylsulfanylphenyl)methyl 4-chloro-3-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(2-oxolanylmethylsulfamoyl)benzoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(tetrahydrofurfurylsulfamoyl)benzoic acid [4-(methylthio)benzyl] ester Formula: C20H22ClNO5S2 MolecularWeight: 455.97538

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NCC3CCCO3

InChI

InChI=1S/C20H22ClNO5S2/c1-28-17-7-4-14(5-8-17)13-27-20(23)15-6-9-18(21)19(11-15)29(24,25)22-12-16-3-2-10-26-16/h4-9,11,16,22H,2-3,10,12-13H2,1H3