phenyl 1-oxidanylidene-2-[phenyl-(propanoylamino)methyl]pentane-1-sulfonate

Systemtic Name: phenyl 1-oxidanylidene-2-[phenyl-(propanoylamino)methyl]pentane-1-sulfonate Openeye Name: phenyl 1-oxo-2-[phenyl-(propanoylamino)methyl]pentane-1-sulfonate CAS Name: 1-oxo-2-[(1-oxopropylamino)-phenylmethyl]-1-pentanesulfonic acid IUPAC Name: phenyl 1-oxo-2-[phenyl-(propanoylamino)methyl]pentane-1-sulfonate Traditional Name: 1-keto-2-[phenyl(propionamido)methyl]pentane-1-sulfonic acid phenyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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