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

Systemtic Name: phenyl 1-oxidanylidene-2-[phenyl-(2-phenylethanoylamino)methyl]pentane-1-sulfonate Openeye Name: phenyl 1-oxo-2-[phenyl-[(2-phenylacetyl)amino]methyl]pentane-1-sulfonate CAS Name: 1-oxo-2-[[(1-oxo-2-phenylethyl)amino]-phenylmethyl]-1-pentanesulfonic acid IUPAC Name: phenyl 1-oxo-2-[phenyl-[(2-phenylacetyl)amino]methyl]pentane-1-sulfonate Traditional Name: 1-keto-2-[phenyl-[(2-phenylacetyl)amino]methyl]pentane-1-sulfonic acid phenyl ester Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO5S/c1-2-12-23(26(29)33(30,31)32-22-17-10-5-11-18-22)25(21-15-8-4-9-16-21)27-24(28)19-20-13-6-3-7-14-20/h3-11,13-18,23,25H,2,12,19H2,1H3,(H,27,28)