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

Systemtic Name: phenyl 2-bromanyl-3-(1-formamido-3-oxidanylidene-propyl)-6-(phenylmethyl)benzenesulfonate Openeye Name: phenyl 6-benzyl-2-bromo-3-(1-formamido-3-oxo-propyl)benzenesulfonate CAS Name: 2-bromo-3-(1-formamido-3-oxopropyl)-6-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 6-benzyl-2-bromo-3-(1-formamido-3-oxopropyl)benzenesulfonate Traditional Name: 6-benzyl-2-bromo-3-(1-formamido-3-keto-propyl)benzenesulfonic acid phenyl ester Formula: C23H20BrNO5S MolecularWeight: 502.3776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=C(C=C2)C(CC=O)NC=O)Br)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=C(C=C2)C(CC=O)NC=O)Br)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H20BrNO5S/c24-22-20(21(13-14-26)25-16-27)12-11-18(15-17-7-3-1-4-8-17)23(22)31(28,29)30-19-9-5-2-6-10-19/h1-12,14,16,21H,13,15H2,(H,25,27)