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

Systemtic Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxo-ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C22H25ClN2O5S2 MolecularWeight: 497.0273

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC(=O)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN2O5S2/c23-17-8-10-18(11-9-17)31-15-12-24-21(26)16-30-22(27)19-6-2-3-7-20(19)32(28,29)25-13-4-1-5-14-25/h2-3,6-11H,1,4-5,12-16H2,(H,24,26)