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

Systemtic Name: phenyl 4-(1-formamido-3-oxidanylidene-propyl)-2-methoxy-3-methylsulfanyl-benzenesulfonate Openeye Name: phenyl 4-(1-formamido-3-oxo-propyl)-2-methoxy-3-methylsulfanyl-benzenesulfonate CAS Name: 4-(1-formamido-3-oxopropyl)-2-methoxy-3-(methylthio)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(1-formamido-3-oxopropyl)-2-methoxy-3-methylsulfanylbenzenesulfonate Traditional Name: 4-(1-formamido-3-keto-propyl)-2-methoxy-3-(methylthio)benzenesulfonic acid phenyl ester Formula: C18H19NO6S2 MolecularWeight: 409.47656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1SC)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1SC)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C18H19NO6S2/c1-24-17-16(27(22,23)25-13-6-4-3-5-7-13)9-8-14(18(17)26-2)15(10-11-20)19-12-21/h3-9,11-12,15H,10H2,1-2H3,(H,19,21)