sodium 2-[(3-bromanyl-2-methyl-propanoyl)amino]-5-(2-bromoethylsulfonyloxy)pyridine-4-sulfonate

Systemtic Name: sodium 2-[(3-bromanyl-2-methyl-propanoyl)amino]-5-(2-bromoethylsulfonyloxy)pyridine-4-sulfonate Openeye Name: sodium 5-(2-bromoethylsulfonyloxy)-2-[(3-bromo-2-methyl-propanoyl)amino]pyridine-4-sulfonate CAS Name: sodium 5-(2-bromoethylsulfonyloxy)-2-[(3-bromo-2-methyl-1-oxopropyl)amino]-4-pyridinesulfonate IUPAC Name: sodium 5-(2-bromoethylsulfonyloxy)-2-[(3-bromo-2-methylpropanoyl)amino]pyridine-4-sulfonate Traditional Name: sodium 5-(2-bromoethylsulfonyloxy)-2-[(3-bromo-2-methyl-propanoyl)amino]pyridine-4-sulfonate Formula: C11H13Br2N2NaO7S2 MolecularWeight: 532.15789

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Descriptors Computed from Structure

Canonical SMILES:

CC(CBr)C(=O)NC1=NC=C(C(=C1)S(=O)(=O)[O-])OS(=O)(=O)CCBr.[Na+]

Isomeric SMILES

CC(CBr)C(=O)NC1=NC=C(C(=C1)S(=O)(=O)[O-])OS(=O)(=O)CCBr.[Na+]

InChI

InChI=1S/C11H14Br2N2O7S2.Na/c1-7(5-13)11(16)15-10-4-9(24(19,20)21)8(6-14-10)22-23(17,18)3-2-12;/h4,6-7H,2-3,5H2,1H3,(H,14,15,16)(H,19,20,21);/q;+1/p-1