[2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-[2-(2,4-dichlorophenyl)pentylamino]-2-keto-ethyl] ester Formula: C21H23Cl2NO5S MolecularWeight: 472.38202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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