phenyl 4-(1-formamido-3-oxidanylidene-propyl)-2-(2-hydroxyphenyl)-3-oxidanyl-benzenesulfonate

Systemtic Name: phenyl 4-(1-formamido-3-oxidanylidene-propyl)-2-(2-hydroxyphenyl)-3-oxidanyl-benzenesulfonate Openeye Name: phenyl 4-(1-formamido-3-oxo-propyl)-3-hydroxy-2-(2-hydroxyphenyl)benzenesulfonate CAS Name: 4-(1-formamido-3-oxopropyl)-3-hydroxy-2-(2-hydroxyphenyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(1-formamido-3-oxopropyl)-3-hydroxy-2-(2-hydroxyphenyl)benzenesulfonate Traditional Name: 4-(1-formamido-3-keto-propyl)-3-hydroxy-2-(2-hydroxyphenyl)benzenesulfonic acid phenyl ester Formula: C22H19NO7S MolecularWeight: 441.45376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C(=C(C=C2)C(CC=O)NC=O)O)C3=CC=CC=C3O

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C(=C(C=C2)C(CC=O)NC=O)O)C3=CC=CC=C3O

InChI

InChI=1S/C22H19NO7S/c24-13-12-18(23-14-25)16-10-11-20(31(28,29)30-15-6-2-1-3-7-15)21(22(16)27)17-8-4-5-9-19(17)26/h1-11,13-14,18,26-27H,12H2,(H,23,25)