phenyl 3-benzamido-1-oxidanylidene-2,3-diphenyl-propane-1-sulfonate

Systemtic Name: phenyl 3-benzamido-1-oxidanylidene-2,3-diphenyl-propane-1-sulfonate Openeye Name: phenyl 3-benzamido-1-oxo-2,3-diphenyl-propane-1-sulfonate CAS Name: 3-benzamido-1-oxo-2,3-diphenyl-1-propanesulfonic acid IUPAC Name: phenyl 3-benzamido-1-oxo-2,3-diphenylpropane-1-sulfonate Traditional Name: 3-benzamido-1-keto-2,3-diphenyl-propane-1-sulfonic acid phenyl ester Formula: C28H23NO5S MolecularWeight: 485.55092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C28H23NO5S/c30-27(23-17-9-3-10-18-23)29-26(22-15-7-2-8-16-22)25(21-13-5-1-6-14-21)28(31)35(32,33)34-24-19-11-4-12-20-24/h1-20,25-26H,(H,29,30)