phenyl 2,3-diethoxy-6-(1-formamido-3-oxidanylidene-propyl)benzenesulfonate

Systemtic Name: phenyl 2,3-diethoxy-6-(1-formamido-3-oxidanylidene-propyl)benzenesulfonate Openeye Name: phenyl 2,3-diethoxy-6-(1-formamido-3-oxo-propyl)benzenesulfonate CAS Name: 2,3-diethoxy-6-(1-formamido-3-oxopropyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2,3-diethoxy-6-(1-formamido-3-oxopropyl)benzenesulfonate Traditional Name: 2,3-diethoxy-6-(1-formamido-3-keto-propyl)benzenesulfonic acid phenyl ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2)OCC

Isomeric SMILES

CCOC1=C(C(=C(C=C1)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2)OCC

InChI

InChI=1S/C20H23NO7S/c1-3-26-18-11-10-16(17(12-13-22)21-14-23)20(19(18)27-4-2)29(24,25)28-15-8-6-5-7-9-15/h5-11,13-14,17H,3-4,12H2,1-2H3,(H,21,23)