tert-butyl 4-[[3-[(E)-3-(oxidanylamino)-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]benzoate

Systemtic Name: tert-butyl 4-[[3-[(E)-3-(oxidanylamino)-3-oxidanylidene-prop-1-enyl]phenyl]sulfonylamino]benzoate Openeye Name: tert-butyl 4-[[3-[(E)-3-(hydroxyamino)-3-oxo-prop-1-enyl]phenyl]sulfonylamino]benzoate CAS Name: 4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]sulfonylamino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]sulfonylamino]benzoate Traditional Name: 4-[[3-[(E)-3-(hydroxyamino)-3-keto-prop-1-enyl]phenyl]sulfonylamino]benzoic acid tert-butyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C=CC(=O)NO

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)/C=C/C(=O)NO

InChI

InChI=1S/C20H22N2O6S/c1-20(2,3)28-19(24)15-8-10-16(11-9-15)22-29(26,27)17-6-4-5-14(13-17)7-12-18(23)21-25/h4-13,22,25H,1-3H3,(H,21,23)/b12-7+