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

Systemtic Name: [3-chloranyl-5-(phenylmethyl)sulfonyloxy-phenyl] 4-(2-methylpropanoylamino)benzoate Openeye Name: (3-benzylsulfonyloxy-5-chloro-phenyl) 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid [3-chloro-5-(phenylmethyl)sulfonyloxyphenyl] ester IUPAC Name: (3-benzylsulfonyloxy-5-chlorophenyl) 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid (3-benzylsulfonyloxy-5-chloro-phenyl) ester Formula: C24H22ClNO6S MolecularWeight: 487.95258

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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)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)Cl)OS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H22ClNO6S/c1-16(2)23(27)26-20-10-8-18(9-11-20)24(28)31-21-12-19(25)13-22(14-21)32-33(29,30)15-17-6-4-3-5-7-17/h3-14,16H,15H2,1-2H3,(H,26,27)