[1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[1-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [2-[1-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C23H26ClFN2O5S MolecularWeight: 496.979343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C23H26ClFN2O5S/c1-15(17-6-8-18(25)9-7-17)26-22(28)16(2)32-23(29)20-14-19(10-11-21(20)24)33(30,31)27-12-4-3-5-13-27/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,26,28)