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

Systemtic Name: phenyl 1-acetamido-3-oxidanylidene-1-phenyl-butane-2-sulfonate Openeye Name: phenyl 1-acetamido-3-oxo-1-phenyl-butane-2-sulfonate CAS Name: 1-acetamido-3-oxo-1-phenyl-2-butanesulfonic acid IUPAC Name: phenyl 1-acetamido-3-oxo-1-phenylbutane-2-sulfonate Traditional Name: 1-acetamido-3-keto-1-phenyl-butane-2-sulfonic acid phenyl ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5S/c1-13(20)18(25(22,23)24-16-11-7-4-8-12-16)17(19-14(2)21)15-9-5-3-6-10-15/h3-12,17-18H,1-2H3,(H,19,21)