3-[4-[(4-bromanyl-3-methyl-phenyl)sulfamoyl]phenyl]propanoate

Systemtic Name: 3-[4-[(4-bromanyl-3-methyl-phenyl)sulfamoyl]phenyl]propanoate Openeye Name: 3-[4-[(4-bromo-3-methyl-phenyl)sulfamoyl]phenyl]propanoate CAS Name: 3-[4-[(4-bromo-3-methylphenyl)sulfamoyl]phenyl]propanoate IUPAC Name: 3-[4-[(4-bromo-3-methylphenyl)sulfamoyl]phenyl]propanoate Traditional Name: 3-[4-[(4-bromo-3-methyl-phenyl)sulfamoyl]phenyl]propionate Formula: C16H15BrNO4S- MolecularWeight: 397.2636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)[O-])Br

InChI

InChI=1S/C16H16BrNO4S/c1-11-10-13(5-8-15(11)17)18-23(21,22)14-6-2-12(3-7-14)4-9-16(19)20/h2-3,5-8,10,18H,4,9H2,1H3,(H,19,20)/p-1