phenyl 4-methyl-1-oxidanylidene-2-[phenyl-(propanoylamino)methyl]pentane-1-sulfonate

Systemtic Name: phenyl 4-methyl-1-oxidanylidene-2-[phenyl-(propanoylamino)methyl]pentane-1-sulfonate Openeye Name: phenyl 4-methyl-1-oxo-2-[phenyl-(propanoylamino)methyl]pentane-1-sulfonate CAS Name: 4-methyl-1-oxo-2-[(1-oxopropylamino)-phenylmethyl]-1-pentanesulfonic acid IUPAC Name: phenyl 4-methyl-1-oxo-2-[phenyl-(propanoylamino)methyl]pentane-1-sulfonate Traditional Name: 1-keto-4-methyl-2-[phenyl(propionamido)methyl]pentane-1-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(CC(C)C)C(=O)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

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

InChI

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