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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O)CC3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=CC(=C1S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O)CC3=CC=CC=C3

InChI

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