(5-azanyl-3-methylsulfonyl-2-methylsulfonyloxysulfinyl-naphthalen-1-yl) methanesulfonate

Systemtic Name: (5-azanyl-3-methylsulfonyl-2-methylsulfonyloxysulfinyl-naphthalen-1-yl) methanesulfonate Openeye Name: (5-amino-3-methylsulfonyl-2-methylsulfonyloxysulfinyl-1-naphthyl) methanesulfonate CAS Name: methanesulfonic acid (5-amino-3-methylsulfonyl-2-methylsulfonyloxysulfinyl-1-naphthalenyl) ester IUPAC Name: (5-amino-3-methylsulfonyl-2-methylsulfonyloxysulfinylnaphthalen-1-yl) methanesulfonate Traditional Name: methanesulfonic acid (5-amino-3-mesyl-2-methylsulfonyloxysulfinyl-1-naphthyl) ester Formula: C13H15NO9S4 MolecularWeight: 457.5195

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C2C=CC=C(C2=C1)N)OS(=O)(=O)C)S(=O)OS(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C2C=CC=C(C2=C1)N)OS(=O)(=O)C)S(=O)OS(=O)(=O)C

InChI

InChI=1S/C13H15NO9S4/c1-25(16,17)11-7-9-8(5-4-6-10(9)14)12(22-26(2,18)19)13(11)24(15)23-27(3,20)21/h4-7H,14H2,1-3H3