(3-chloranyl-5-thiophen-2-ylsulfonyloxy-phenyl) 4-(2-methylpropanoylamino)benzoate

Systemtic Name: (3-chloranyl-5-thiophen-2-ylsulfonyloxy-phenyl) 4-(2-methylpropanoylamino)benzoate Openeye Name: [3-chloro-5-(2-thienylsulfonyloxy)phenyl] 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid (3-chloro-5-thiophen-2-ylsulfonyloxyphenyl) ester IUPAC Name: (3-chloro-5-thiophen-2-ylsulfonyloxyphenyl) 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid [3-chloro-5-(2-thienylsulfonyloxy)phenyl] ester Formula: C21H18ClNO6S2 MolecularWeight: 479.95372

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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=CS3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)Cl)OS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H18ClNO6S2/c1-13(2)20(24)23-16-7-5-14(6-8-16)21(25)28-17-10-15(22)11-18(12-17)29-31(26,27)19-4-3-9-30-19/h3-13H,1-2H3,(H,23,24)