[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-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=CC(=C(C=C2)Cl)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

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