[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-[1-(2,4-dichlorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C22H24Cl2N2O5S MolecularWeight: 499.40736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24Cl2N2O5S/c1-15(19-9-8-17(23)13-20(19)24)25-21(27)14-31-22(28)16-6-5-7-18(12-16)32(29,30)26-10-3-2-4-11-26/h5-9,12-13,15H,2-4,10-11,14H2,1H3,(H,25,27)