phenyl 3-ethoxy-6-(1-formamido-3-oxidanylidene-propyl)-2-(phenylmethyl)benzenesulfonate

Systemtic Name: phenyl 3-ethoxy-6-(1-formamido-3-oxidanylidene-propyl)-2-(phenylmethyl)benzenesulfonate Openeye Name: phenyl 2-benzyl-3-ethoxy-6-(1-formamido-3-oxo-propyl)benzenesulfonate CAS Name: 3-ethoxy-6-(1-formamido-3-oxopropyl)-2-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-benzyl-3-ethoxy-6-(1-formamido-3-oxopropyl)benzenesulfonate Traditional Name: 2-benzyl-3-ethoxy-6-(1-formamido-3-keto-propyl)benzenesulfonic acid phenyl ester Formula: C25H25NO6S MolecularWeight: 467.5341

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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)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=C(C=C1)C(CC=O)NC=O)S(=O)(=O)OC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C25H25NO6S/c1-2-31-24-14-13-21(23(15-16-27)26-18-28)25(22(24)17-19-9-5-3-6-10-19)33(29,30)32-20-11-7-4-8-12-20/h3-14,16,18,23H,2,15,17H2,1H3,(H,26,28)