[3-chloranyl-5-(phenylsulfonyloxy)phenyl] 4-(2-methylpropanoylamino)benzoate

Systemtic Name: [3-chloranyl-5-(phenylsulfonyloxy)phenyl] 4-(2-methylpropanoylamino)benzoate Openeye Name: [3-(benzenesulfonyloxy)-5-chloro-phenyl] 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid [3-(benzenesulfonyloxy)-5-chlorophenyl] ester IUPAC Name: [3-(benzenesulfonyloxy)-5-chlorophenyl] 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid (3-besyloxy-5-chloro-phenyl) ester Formula: C23H20ClNO6S MolecularWeight: 473.926

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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)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)Cl)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H20ClNO6S/c1-15(2)22(26)25-18-10-8-16(9-11-18)23(27)30-19-12-17(24)13-20(14-19)31-32(28,29)21-6-4-3-5-7-21/h3-15H,1-2H3,(H,25,26)