4-[(4-bromanyl-2,6-dimethyl-phenyl)sulfamoyl]butanoate

Systemtic Name: 4-[(4-bromanyl-2,6-dimethyl-phenyl)sulfamoyl]butanoate Openeye Name: 4-[(4-bromo-2,6-dimethyl-phenyl)sulfamoyl]butanoate CAS Name: 4-[(4-bromo-2,6-dimethylphenyl)sulfamoyl]butanoate IUPAC Name: 4-[(4-bromo-2,6-dimethylphenyl)sulfamoyl]butanoate Traditional Name: 4-[(4-bromo-2,6-dimethyl-phenyl)sulfamoyl]butyrate Formula: C12H15BrNO4S- MolecularWeight: 349.2208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NS(=O)(=O)CCCC(=O)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NS(=O)(=O)CCCC(=O)[O-])C)Br

InChI

InChI=1S/C12H16BrNO4S/c1-8-6-10(13)7-9(2)12(8)14-19(17,18)5-3-4-11(15)16/h6-7,14H,3-5H2,1-2H3,(H,15,16)/p-1