phenyl 1-benzamido-3-oxidanylidene-1-phenyl-3-(phenylsulfonyl)propane-2-sulfonate

Systemtic Name: phenyl 1-benzamido-3-oxidanylidene-1-phenyl-3-(phenylsulfonyl)propane-2-sulfonate Openeye Name: phenyl 1-benzamido-3-(benzenesulfonyl)-3-oxo-1-phenyl-propane-2-sulfonate CAS Name: 1-benzamido-3-(benzenesulfonyl)-3-oxo-1-phenyl-2-propanesulfonic acid IUPAC Name: phenyl 1-benzamido-3-(benzenesulfonyl)-3-oxo-1-phenylpropane-2-sulfonate Traditional Name: 1-benzamido-3-besyl-3-keto-1-phenyl-propane-2-sulfonic acid phenyl ester Formula: C28H23NO7S2 MolecularWeight: 549.61472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C(=O)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(C(=O)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H23NO7S2/c30-27(22-15-7-2-8-16-22)29-25(21-13-5-1-6-14-21)26(38(34,35)36-23-17-9-3-10-18-23)28(31)37(32,33)24-19-11-4-12-20-24/h1-20,25-26H,(H,29,30)