phenyl 5-methyl-3-oxidanylidene-1-phenyl-1-(2-phenylethanoylamino)hexane-2-sulfonate

Systemtic Name: phenyl 5-methyl-3-oxidanylidene-1-phenyl-1-(2-phenylethanoylamino)hexane-2-sulfonate Openeye Name: phenyl 5-methyl-3-oxo-1-phenyl-1-[(2-phenylacetyl)amino]hexane-2-sulfonate CAS Name: 5-methyl-3-oxo-1-[(1-oxo-2-phenylethyl)amino]-1-phenyl-2-hexanesulfonic acid IUPAC Name: phenyl 5-methyl-3-oxo-1-phenyl-1-[(2-phenylacetyl)amino]hexane-2-sulfonate Traditional Name: 3-keto-5-methyl-1-phenyl-1-[(2-phenylacetyl)amino]hexane-2-sulfonic acid phenyl ester Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(C(C1=CC=CC=C1)NC(=O)CC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)C(C(C1=CC=CC=C1)NC(=O)CC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C27H29NO5S/c1-20(2)18-24(29)27(34(31,32)33-23-16-10-5-11-17-23)26(22-14-8-4-9-15-22)28-25(30)19-21-12-6-3-7-13-21/h3-17,20,26-27H,18-19H2,1-2H3,(H,28,30)