(3-chloranyl-5-methylsulfonyloxy-phenyl) 4-(2-methylpropanoylamino)benzoate

Systemtic Name: (3-chloranyl-5-methylsulfonyloxy-phenyl) 4-(2-methylpropanoylamino)benzoate Openeye Name: (3-chloro-5-methylsulfonyloxy-phenyl) 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid (3-chloro-5-methylsulfonyloxyphenyl) ester IUPAC Name: (3-chloro-5-methylsulfonyloxyphenyl) 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid (3-chloro-5-methylsulfonyloxy-phenyl) ester Formula: C18H18ClNO6S MolecularWeight: 411.85662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)Cl)OS(=O)(=O)C

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)Cl)OS(=O)(=O)C

InChI

InChI=1S/C18H18ClNO6S/c1-11(2)17(21)20-14-6-4-12(5-7-14)18(22)25-15-8-13(19)9-16(10-15)26-27(3,23)24/h4-11H,1-3H3,(H,20,21)