phenyl 1-acetamido-5-methyl-3-oxidanylidene-1-phenyl-hexane-2-sulfonate

Systemtic Name: phenyl 1-acetamido-5-methyl-3-oxidanylidene-1-phenyl-hexane-2-sulfonate Openeye Name: phenyl 1-acetamido-5-methyl-3-oxo-1-phenyl-hexane-2-sulfonate CAS Name: 1-acetamido-5-methyl-3-oxo-1-phenyl-2-hexanesulfonic acid IUPAC Name: phenyl 1-acetamido-5-methyl-3-oxo-1-phenylhexane-2-sulfonate Traditional Name: 1-acetamido-3-keto-5-methyl-1-phenyl-hexane-2-sulfonic acid phenyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-15(2)14-19(24)21(28(25,26)27-18-12-8-5-9-13-18)20(22-16(3)23)17-10-6-4-7-11-17/h4-13,15,20-21H,14H2,1-3H3,(H,22,23)