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

Systemtic Name: phenyl 6-(1-formamido-3-oxidanylidene-propyl)-3-methylsulfanyl-2-(phenylmethyl)benzenesulfonate Openeye Name: phenyl 2-benzyl-6-(1-formamido-3-oxo-propyl)-3-methylsulfanyl-benzenesulfonate CAS Name: 6-(1-formamido-3-oxopropyl)-3-(methylthio)-2-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-benzyl-6-(1-formamido-3-oxopropyl)-3-methylsulfanylbenzenesulfonate Traditional Name: 2-benzyl-6-(1-formamido-3-keto-propyl)-3-(methylthio)benzenesulfonic acid phenyl ester Formula: C24H23NO5S2 MolecularWeight: 469.57312

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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)CC3=CC=CC=C3

Isomeric SMILES

CSC1=C(C(=C(C=C1)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H23NO5S2/c1-31-23-13-12-20(22(14-15-26)25-17-27)24(21(23)16-18-8-4-2-5-9-18)32(28,29)30-19-10-6-3-7-11-19/h2-13,15,17,22H,14,16H2,1H3,(H,25,27)