2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethanesulfonic acid

Systemtic Name: 2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethanesulfonic acid Openeye Name: 2-[(3,4,5-trimethoxybenzoyl)amino]ethanesulfonic acid CAS Name: 2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ethanesulfonic acid IUPAC Name: 2-[(3,4,5-trimethoxybenzoyl)amino]ethanesulfonic acid Traditional Name: 2-[(3,4,5-trimethoxybenzoyl)amino]ethanesulfonic acid Formula: C12H17NO7S MolecularWeight: 319.33088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C12H17NO7S/c1-18-9-6-8(7-10(19-2)11(9)20-3)12(14)13-4-5-21(15,16)17/h6-7H,4-5H2,1-3H3,(H,13,14)(H,15,16,17)