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

Systemtic Name: phenyl 5-methyl-3-oxidanylidene-1-phenyl-1-(propanoylamino)hexane-2-sulfonate Openeye Name: phenyl 5-methyl-3-oxo-1-phenyl-1-(propanoylamino)hexane-2-sulfonate CAS Name: 5-methyl-3-oxo-1-(1-oxopropylamino)-1-phenyl-2-hexanesulfonic acid IUPAC Name: phenyl 5-methyl-3-oxo-1-phenyl-1-(propanoylamino)hexane-2-sulfonate Traditional Name: 3-keto-5-methyl-1-phenyl-1-propionamido-hexane-2-sulfonic acid phenyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C1=CC=CC=C1)C(C(=O)CC(C)C)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC(C1=CC=CC=C1)C(C(=O)CC(C)C)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C22H27NO5S/c1-4-20(25)23-21(17-11-7-5-8-12-17)22(19(24)15-16(2)3)29(26,27)28-18-13-9-6-10-14-18/h5-14,16,21-22H,4,15H2,1-3H3,(H,23,25)