phenyl 2-bromanyl-4-(1-formamido-3-oxidanylidene-propyl)-3-methylsulfanyl-benzenesulfonate

Systemtic Name: phenyl 2-bromanyl-4-(1-formamido-3-oxidanylidene-propyl)-3-methylsulfanyl-benzenesulfonate Openeye Name: phenyl 2-bromo-4-(1-formamido-3-oxo-propyl)-3-methylsulfanyl-benzenesulfonate CAS Name: 2-bromo-4-(1-formamido-3-oxopropyl)-3-(methylthio)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-bromo-4-(1-formamido-3-oxopropyl)-3-methylsulfanylbenzenesulfonate Traditional Name: 2-bromo-4-(1-formamido-3-keto-propyl)-3-(methylthio)benzenesulfonic acid phenyl ester Formula: C17H16BrNO5S2 MolecularWeight: 458.34664

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1Br)S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O

Isomeric SMILES

CSC1=C(C=CC(=C1Br)S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O

InChI

InChI=1S/C17H16BrNO5S2/c1-25-17-13(14(9-10-20)19-11-21)7-8-15(16(17)18)26(22,23)24-12-5-3-2-4-6-12/h2-8,10-11,14H,9H2,1H3,(H,19,21)