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

Systemtic Name: phenyl 1-oxidanylidene-3-phenyl-3-(2-phenylethanoylamino)-2-(phenylsulfonyl)propane-1-sulfonate Openeye Name: phenyl 2-(benzenesulfonyl)-1-oxo-3-phenyl-3-[(2-phenylacetyl)amino]propane-1-sulfonate CAS Name: 2-(benzenesulfonyl)-1-oxo-3-[(1-oxo-2-phenylethyl)amino]-3-phenyl-1-propanesulfonic acid IUPAC Name: phenyl 2-(benzenesulfonyl)-1-oxo-3-phenyl-3-[(2-phenylacetyl)amino]propane-1-sulfonate Traditional Name: 2-besyl-1-keto-3-phenyl-3-[(2-phenylacetyl)amino]propane-1-sulfonic acid phenyl ester Formula: C29H25NO7S2 MolecularWeight: 563.6413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25NO7S2/c31-26(21-22-13-5-1-6-14-22)30-27(23-15-7-2-8-16-23)28(38(33,34)25-19-11-4-12-20-25)29(32)39(35,36)37-24-17-9-3-10-18-24/h1-20,27-28H,21H2,(H,30,31)