phenyl 6-(1-formamido-3-oxidanylidene-propyl)-2-(2-hydroxyphenyl)-3-methylsulfanyl-benzenesulfonate

Systemtic Name: phenyl 6-(1-formamido-3-oxidanylidene-propyl)-2-(2-hydroxyphenyl)-3-methylsulfanyl-benzenesulfonate Openeye Name: phenyl 6-(1-formamido-3-oxo-propyl)-2-(2-hydroxyphenyl)-3-methylsulfanyl-benzenesulfonate CAS Name: 6-(1-formamido-3-oxopropyl)-2-(2-hydroxyphenyl)-3-(methylthio)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 6-(1-formamido-3-oxopropyl)-2-(2-hydroxyphenyl)-3-methylsulfanylbenzenesulfonate Traditional Name: 6-(1-formamido-3-keto-propyl)-2-(2-hydroxyphenyl)-3-(methylthio)benzenesulfonic acid phenyl ester Formula: C23H21NO6S2 MolecularWeight: 471.54594

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(C=C1)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3O

Isomeric SMILES

CSC1=C(C(=C(C=C1)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3O

InChI

InChI=1S/C23H21NO6S2/c1-31-21-12-11-17(19(13-14-25)24-15-26)23(22(21)18-9-5-6-10-20(18)27)32(28,29)30-16-7-3-2-4-8-16/h2-12,14-15,19,27H,13H2,1H3,(H,24,26)