3-(2-methoxyethylamino)-4-methylsulfonyl-2-(methylsulfonylmethyl)benzoate

Systemtic Name: 3-(2-methoxyethylamino)-4-methylsulfonyl-2-(methylsulfonylmethyl)benzoate Openeye Name: 3-(2-methoxyethylamino)-4-methylsulfonyl-2-(methylsulfonylmethyl)benzoate CAS Name: 3-(2-methoxyethylamino)-4-methylsulfonyl-2-(methylsulfonylmethyl)benzoate IUPAC Name: 3-(2-methoxyethylamino)-4-methylsulfonyl-2-(methylsulfonylmethyl)benzoate Traditional Name: 4-mesyl-2-(mesylmethyl)-3-(2-methoxyethylamino)benzoate Formula: C13H18NO7S2- MolecularWeight: 364.41452

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=CC(=C1CS(=O)(=O)C)C(=O)[O-])S(=O)(=O)C

Isomeric SMILES

COCCNC1=C(C=CC(=C1CS(=O)(=O)C)C(=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C13H19NO7S2/c1-21-7-6-14-12-10(8-22(2,17)18)9(13(15)16)4-5-11(12)23(3,19)20/h4-5,14H,6-8H2,1-3H3,(H,15,16)/p-1