methyl 5-bromanyl-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoate

Systemtic Name: methyl 5-bromanyl-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoate Openeye Name: methyl 5-bromo-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoate CAS Name: 5-bromo-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[(4-methylsulfonylphenyl)sulfonylamino]benzoate Traditional Name: 5-bromo-2-[(4-mesylphenyl)sulfonylamino]benzoic acid methyl ester Formula: C15H14BrNO6S2 MolecularWeight: 448.30876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Br)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Br)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C15H14BrNO6S2/c1-23-15(18)13-9-10(16)3-8-14(13)17-25(21,22)12-6-4-11(5-7-12)24(2,19)20/h3-9,17H,1-2H3