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

Systemtic Name: phenyl 4-(1-formamido-3-oxidanylidene-propyl)-2-iodanyl-3-methylsulfanyl-benzenesulfonate Openeye Name: phenyl 4-(1-formamido-3-oxo-propyl)-2-iodo-3-methylsulfanyl-benzenesulfonate CAS Name: 4-(1-formamido-3-oxopropyl)-2-iodo-3-(methylthio)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(1-formamido-3-oxopropyl)-2-iodo-3-methylsulfanylbenzenesulfonate Traditional Name: 4-(1-formamido-3-keto-propyl)-2-iodo-3-(methylthio)benzenesulfonic acid phenyl ester Formula: C17H16INO5S2 MolecularWeight: 505.34711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1I)S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O

Isomeric SMILES

CSC1=C(C=CC(=C1I)S(=O)(=O)OC2=CC=CC=C2)C(CC=O)NC=O

InChI

InChI=1S/C17H16INO5S2/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)