phenacyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClNO5S/c21-18-10-9-16(28(25,26)22-11-5-2-6-12-22)13-17(18)20(24)27-14-19(23)15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2