5-azanyl-3,4-bis(ethoxycarbonyl)-6-phenyl-pyridine-2-sulfonic acid

Systemtic Name: 5-azanyl-3,4-bis(ethoxycarbonyl)-6-phenyl-pyridine-2-sulfonic acid Openeye Name: 5-amino-3,4-bis(ethoxycarbonyl)-6-phenyl-pyridine-2-sulfonic acid CAS Name: 5-amino-3,4-bis(ethoxycarbonyl)-6-phenyl-2-pyridinesulfonic acid IUPAC Name: 5-amino-3,4-bis(ethoxycarbonyl)-6-phenylpyridine-2-sulfonic acid Traditional Name: 5-amino-3,4-dicarbethoxy-6-phenyl-pyridine-2-sulfonic acid Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NC(=C1N)C2=CC=CC=C2)S(=O)(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(C(=NC(=C1N)C2=CC=CC=C2)S(=O)(=O)O)C(=O)OCC

InChI

InChI=1S/C17H18N2O7S/c1-3-25-16(20)11-12(17(21)26-4-2)15(27(22,23)24)19-14(13(11)18)10-8-6-5-7-9-10/h5-9H,3-4,18H2,1-2H3,(H,22,23,24)