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

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H22ClFN2O5S MolecularWeight: 468.926183

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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)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22ClFN2O5S/c22-19-9-8-17(31(28,29)25-10-2-1-3-11-25)12-18(19)21(27)30-14-20(26)24-13-15-4-6-16(23)7-5-15/h4-9,12H,1-3,10-11,13-14H2,(H,24,26)