(4-ethanoylphenyl) 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-ethanoylphenyl) 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-acetylphenyl) 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid (4-acetylphenyl) ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C20H20ClNO5S/c1-14(23)15-5-7-16(8-6-15)27-20(24)18-13-17(9-10-19(18)21)28(25,26)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3