phenyl 4-(1-formamido-3-oxidanylidene-propyl)-3-oxidanyl-2-(phenylsulfonyl)benzenesulfonate

Systemtic Name: phenyl 4-(1-formamido-3-oxidanylidene-propyl)-3-oxidanyl-2-(phenylsulfonyl)benzenesulfonate Openeye Name: phenyl 2-(benzenesulfonyl)-4-(1-formamido-3-oxo-propyl)-3-hydroxy-benzenesulfonate CAS Name: 2-(benzenesulfonyl)-4-(1-formamido-3-oxopropyl)-3-hydroxybenzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-(benzenesulfonyl)-4-(1-formamido-3-oxopropyl)-3-hydroxybenzenesulfonate Traditional Name: 2-besyl-4-(1-formamido-3-keto-propyl)-3-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(=C(C=C2)C(CC=O)NC=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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