(4-acetamidophenyl) 4-bromanyl-2,5-dimethyl-benzenesulfonate

Systemtic Name: (4-acetamidophenyl) 4-bromanyl-2,5-dimethyl-benzenesulfonate Openeye Name: (4-acetamidophenyl) 4-bromo-2,5-dimethyl-benzenesulfonate CAS Name: 4-bromo-2,5-dimethylbenzenesulfonic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 4-bromo-2,5-dimethylbenzenesulfonate Traditional Name: 4-bromo-2,5-dimethyl-benzenesulfonic acid (4-acetamidophenyl) ester Formula: C16H16BrNO4S MolecularWeight: 398.27154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)S(=O)(=O)OC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C16H16BrNO4S/c1-10-9-16(11(2)8-15(10)17)23(20,21)22-14-6-4-13(5-7-14)18-12(3)19/h4-9H,1-3H3,(H,18,19)