(5-ethanoyl-2-methoxy-phenyl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C22H24ClNO6S MolecularWeight: 465.94706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO6S/c1-15(25)16-6-9-21(29-2)17(12-16)14-30-22(26)19-13-18(7-8-20(19)23)31(27,28)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11,14H2,1-2H3