[2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [2-[2-(4-chlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O5S/c23-19-8-4-17(5-9-19)12-13-24-21(26)16-30-22(27)18-6-10-20(11-7-18)31(28,29)25-14-2-1-3-15-25/h4-11H,1-3,12-16H2,(H,24,26)