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

Systemtic Name: phenyl 4-methyl-1-oxidanylidene-2-[phenyl-(2-phenylethanoylamino)methyl]pentane-1-sulfonate Openeye Name: phenyl 4-methyl-1-oxo-2-[phenyl-[(2-phenylacetyl)amino]methyl]pentane-1-sulfonate CAS Name: 4-methyl-1-oxo-2-[[(1-oxo-2-phenylethyl)amino]-phenylmethyl]-1-pentanesulfonic acid IUPAC Name: phenyl 4-methyl-1-oxo-2-[phenyl-[(2-phenylacetyl)amino]methyl]pentane-1-sulfonate Traditional Name: 1-keto-4-methyl-2-[phenyl-[(2-phenylacetyl)amino]methyl]pentane-1-sulfonic acid phenyl ester Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO5S/c1-20(2)18-24(27(30)34(31,32)33-23-16-10-5-11-17-23)26(22-14-8-4-9-15-22)28-25(29)19-21-12-6-3-7-13-21/h3-17,20,24,26H,18-19H2,1-2H3,(H,28,29)