(2-acetamido-4-chloranyl-phenyl) 4-tert-butylbenzenesulfonate

Systemtic Name: (2-acetamido-4-chloranyl-phenyl) 4-tert-butylbenzenesulfonate Openeye Name: (2-acetamido-4-chloro-phenyl) 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid (2-acetamido-4-chlorophenyl) ester IUPAC Name: (2-acetamido-4-chlorophenyl) 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid (2-acetamido-4-chloro-phenyl) ester Formula: C18H20ClNO4S MolecularWeight: 381.8737

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H20ClNO4S/c1-12(21)20-16-11-14(19)7-10-17(16)24-25(22,23)15-8-5-13(6-9-15)18(2,3)4/h5-11H,1-4H3,(H,20,21)