[4-(1,3-dithiolan-2-yl)phenyl] 4-bromanyl-3-(dimethylsulfamoyl)benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-bromanyl-3-(dimethylsulfamoyl)benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-bromo-3-(dimethylsulfamoyl)benzoate CAS Name: 4-bromo-3-(dimethylsulfamoyl)benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-bromo-3-(dimethylsulfamoyl)benzoate Traditional Name: 4-bromo-3-(dimethylsulfamoyl)benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C18H18BrNO4S3 MolecularWeight: 488.43882

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C3SCCS3)Br

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C3SCCS3)Br

InChI

InChI=1S/C18H18BrNO4S3/c1-20(2)27(22,23)16-11-13(5-8-15(16)19)17(21)24-14-6-3-12(4-7-14)18-25-9-10-26-18/h3-8,11,18H,9-10H2,1-2H3