methyl 5-[[3-methoxycarbonyl-5-(methylperoxymethyl)phenyl]sulfonylamino]-3-methyl-2-oxidanyl-benzoate

Systemtic Name: methyl 5-[[3-methoxycarbonyl-5-(methylperoxymethyl)phenyl]sulfonylamino]-3-methyl-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-5-[[3-methoxycarbonyl-5-(methylperoxymethyl)phenyl]sulfonylamino]-3-methyl-benzoate CAS Name: 2-hydroxy-5-[[3-methoxycarbonyl-5-(methyldioxymethyl)phenyl]sulfonylamino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-5-[[3-methoxycarbonyl-5-(methylperoxymethyl)phenyl]sulfonylamino]-3-methylbenzoate Traditional Name: 5-[[3-carbomethoxy-5-(methylperoxymethyl)phenyl]sulfonylamino]-2-hydroxy-3-methyl-benzoic acid methyl ester Formula: C19H21NO9S MolecularWeight: 439.43634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)NS(=O)(=O)C2=CC(=CC(=C2)COOC)C(=O)OC)C(=O)OC)O

Isomeric SMILES

CC1=C(C(=CC(=C1)NS(=O)(=O)C2=CC(=CC(=C2)COOC)C(=O)OC)C(=O)OC)O

InChI

InChI=1S/C19H21NO9S/c1-11-5-14(9-16(17(11)21)19(23)27-3)20-30(24,25)15-7-12(10-29-28-4)6-13(8-15)18(22)26-2/h5-9,20-21H,10H2,1-4H3