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

Systemtic Name: phenyl 1-acetamido-3-oxidanylidene-1-phenyl-hexane-2-sulfonate Openeye Name: phenyl 1-acetamido-3-oxo-1-phenyl-hexane-2-sulfonate CAS Name: 1-acetamido-3-oxo-1-phenyl-2-hexanesulfonic acid IUPAC Name: phenyl 1-acetamido-3-oxo-1-phenylhexane-2-sulfonate Traditional Name: 1-acetamido-3-keto-1-phenyl-hexane-2-sulfonic acid phenyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-3-10-18(23)20(27(24,25)26-17-13-8-5-9-14-17)19(21-15(2)22)16-11-6-4-7-12-16/h4-9,11-14,19-20H,3,10H2,1-2H3,(H,21,22)