[2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-[2-(2,4-dichlorophenyl)pentylamino]-2-keto-ethyl] ester Formula: C21H23Cl2NO5S MolecularWeight: 472.38202

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC(=O)COC(=O)C1=CC=CC=C1S(=O)(=O)C)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCC(CNC(=O)COC(=O)C1=CC=CC=C1S(=O)(=O)C)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H23Cl2NO5S/c1-3-6-14(16-10-9-15(22)11-18(16)23)12-24-20(25)13-29-21(26)17-7-4-5-8-19(17)30(2,27)28/h4-5,7-11,14H,3,6,12-13H2,1-2H3,(H,24,25)