[4-(phenylcarbonyl)phenyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [4-(phenylcarbonyl)phenyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-benzoylphenyl) 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (4-benzoylphenyl) ester IUPAC Name: (4-benzoylphenyl) 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (4-benzoylphenyl) ester Formula: C25H22ClNO5S MolecularWeight: 483.96388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)C(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H22ClNO5S/c26-22-14-11-20(17-23(22)33(30,31)27-15-5-2-6-16-27)25(29)32-21-12-9-19(10-13-21)24(28)18-7-3-1-4-8-18/h1,3-4,7-14,17H,2,5-6,15-16H2