phenyl 3-(1-formamido-3-oxidanylidene-propyl)-2-oxidanyl-6-(phenylsulfonyl)benzenesulfonate

Systemtic Name: phenyl 3-(1-formamido-3-oxidanylidene-propyl)-2-oxidanyl-6-(phenylsulfonyl)benzenesulfonate Openeye Name: phenyl 6-(benzenesulfonyl)-3-(1-formamido-3-oxo-propyl)-2-hydroxy-benzenesulfonate CAS Name: 6-(benzenesulfonyl)-3-(1-formamido-3-oxopropyl)-2-hydroxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 6-(benzenesulfonyl)-3-(1-formamido-3-oxopropyl)-2-hydroxybenzenesulfonate Traditional Name: 6-besyl-3-(1-formamido-3-keto-propyl)-2-hydroxy-benzenesulfonic acid phenyl ester Formula: C22H19NO8S2 MolecularWeight: 489.51816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2O)C(CC=O)NC=O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2O)C(CC=O)NC=O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H19NO8S2/c24-14-13-19(23-15-25)18-11-12-20(32(27,28)17-9-5-2-6-10-17)22(21(18)26)33(29,30)31-16-7-3-1-4-8-16/h1-12,14-15,19,26H,13H2,(H,23,25)