phenyl 1-(butanoylamino)-3-oxidanylidene-1-phenyl-pentane-2-sulfonate

Systemtic Name: phenyl 1-(butanoylamino)-3-oxidanylidene-1-phenyl-pentane-2-sulfonate Openeye Name: phenyl 1-(butanoylamino)-3-oxo-1-phenyl-pentane-2-sulfonate CAS Name: 3-oxo-1-(1-oxobutylamino)-1-phenyl-2-pentanesulfonic acid IUPAC Name: phenyl 1-(butanoylamino)-3-oxo-1-phenylpentane-2-sulfonate Traditional Name: 1-butyramido-3-keto-1-phenyl-pentane-2-sulfonic acid phenyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-3-11-19(24)22-20(16-12-7-5-8-13-16)21(18(23)4-2)28(25,26)27-17-14-9-6-10-15-17/h5-10,12-15,20-21H,3-4,11H2,1-2H3,(H,22,24)