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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1S(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3O)C(CC=O)NC=O

Isomeric SMILES

CSC1=C(C=CC(=C1S(=O)(=O)OC2=CC=CC=C2)C3=CC=CC=C3O)C(CC=O)NC=O

InChI

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