(4-acetamidonaphthalen-1-yl) 4-bromanylbenzenesulfonate

Systemtic Name: (4-acetamidonaphthalen-1-yl) 4-bromanylbenzenesulfonate Openeye Name: (4-acetamido-1-naphthyl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (4-acetamido-1-naphthalenyl) ester IUPAC Name: (4-acetamidonaphthalen-1-yl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (4-acetamido-1-naphthyl) ester Formula: C18H14BrNO4S MolecularWeight: 420.27706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C2=CC=CC=C21)OS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C2=CC=CC=C21)OS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H14BrNO4S/c1-12(21)20-17-10-11-18(16-5-3-2-4-15(16)17)24-25(22,23)14-8-6-13(19)7-9-14/h2-11H,1H3,(H,20,21)