[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C22H23ClFNO5S MolecularWeight: 467.938123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClFNO5S/c23-19-11-8-17(15-21(19)31(28,29)25-12-2-1-3-13-25)22(27)30-14-4-5-20(26)16-6-9-18(24)10-7-16/h6-11,15H,1-5,12-14H2