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

Systemtic Name: phenyl 1-(2-hydroxyphenyl)-1-oxidanylidene-3-phenyl-3-(2-phenylethanoylamino)propane-2-sulfonate Openeye Name: phenyl 1-(2-hydroxyphenyl)-1-oxo-3-phenyl-3-[(2-phenylacetyl)amino]propane-2-sulfonate CAS Name: 1-(2-hydroxyphenyl)-1-oxo-3-[(1-oxo-2-phenylethyl)amino]-3-phenyl-2-propanesulfonic acid IUPAC Name: phenyl 1-(2-hydroxyphenyl)-1-oxo-3-phenyl-3-[(2-phenylacetyl)amino]propane-2-sulfonate Traditional Name: 1-(2-hydroxyphenyl)-1-keto-3-phenyl-3-[(2-phenylacetyl)amino]propane-2-sulfonic acid phenyl ester Formula: C29H25NO6S MolecularWeight: 515.5769

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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)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(C2=CC=CC=C2)C(C(=O)C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C29H25NO6S/c31-25-19-11-10-18-24(25)28(33)29(37(34,35)36-23-16-8-3-9-17-23)27(22-14-6-2-7-15-22)30-26(32)20-21-12-4-1-5-13-21/h1-19,27,29,31H,20H2,(H,30,32)