5-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-(4-methoxyphenyl)sulfamoyl]-2-oxidanyl-benzoate

Systemtic Name: 5-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-(4-methoxyphenyl)sulfamoyl]-2-oxidanyl-benzoate Openeye Name: 5-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-(4-methoxyphenyl)sulfamoyl]-2-hydroxy-benzoate CAS Name: 5-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-(4-methoxyphenyl)sulfamoyl]-2-hydroxybenzoate IUPAC Name: 5-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-(4-methoxyphenyl)sulfamoyl]-2-hydroxybenzoate Traditional Name: 2-hydroxy-5-[[2-keto-2-(piperonylamino)ethyl]-(4-methoxyphenyl)sulfamoyl]benzoate Formula: C24H21N2O9S- MolecularWeight: 513.49654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=C(C=C4)O)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=C(C=C4)O)C(=O)[O-]

InChI

InChI=1S/C24H22N2O9S/c1-33-17-5-3-16(4-6-17)26(36(31,32)18-7-8-20(27)19(11-18)24(29)30)13-23(28)25-12-15-2-9-21-22(10-15)35-14-34-21/h2-11,27H,12-14H2,1H3,(H,25,28)(H,29,30)/p-1