[2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-[(2,4-dichlorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H21Cl3N2O5S MolecularWeight: 519.82584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl3N2O5S/c22-16-6-4-15(18(24)11-16)12-25-20(27)13-31-21(28)14-5-7-17(23)19(10-14)32(29,30)26-8-2-1-3-9-26/h4-7,10-11H,1-3,8-9,12-13H2,(H,25,27)