[2-bromanyl-3-[(4-iodophenyl)carbamoyl]pyridin-4-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-bromanyl-3-[(4-iodophenyl)carbamoyl]pyridin-4-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-bromo-3-[(4-iodophenyl)carbamoyl]-4-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-bromo-3-[(4-iodoanilino)-oxomethyl]-4-pyridinyl] ester IUPAC Name: [2-bromo-3-[(4-iodophenyl)carbamoyl]pyridin-4-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-bromo-3-[(4-iodophenyl)carbamoyl]-4-pyridyl] ester Formula: C13H7BrF3IN2O4S MolecularWeight: 551.07436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=C(C=CN=C2Br)OS(=O)(=O)C(F)(F)F)I

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=C(C=CN=C2Br)OS(=O)(=O)C(F)(F)F)I

InChI

InChI=1S/C13H7BrF3IN2O4S/c14-11-10(12(21)20-8-3-1-7(18)2-4-8)9(5-6-19-11)24-25(22,23)13(15,16)17/h1-6H,(H,20,21)