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

Systemtic Name: phenyl 3-chloranyl-6-(1-formamido-3-oxidanylidene-propyl)-2-(phenylmethyl)benzenesulfonate Openeye Name: phenyl 2-benzyl-3-chloro-6-(1-formamido-3-oxo-propyl)benzenesulfonate CAS Name: 3-chloro-6-(1-formamido-3-oxopropyl)-2-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-benzyl-3-chloro-6-(1-formamido-3-oxopropyl)benzenesulfonate Traditional Name: 2-benzyl-3-chloro-6-(1-formamido-3-keto-propyl)benzenesulfonic acid phenyl ester Formula: C23H20ClNO5S MolecularWeight: 457.9266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2S(=O)(=O)OC3=CC=CC=C3)C(CC=O)NC=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2S(=O)(=O)OC3=CC=CC=C3)C(CC=O)NC=O)Cl

InChI

InChI=1S/C23H20ClNO5S/c24-21-12-11-19(22(13-14-26)25-16-27)23(20(21)15-17-7-3-1-4-8-17)31(28,29)30-18-9-5-2-6-10-18/h1-12,14,16,22H,13,15H2,(H,25,27)