[2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2,4-dichlorophenyl)pentylamino]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-[2-(2,4-dichlorophenyl)pentylamino]-2-keto-ethyl] ester Formula: C21H22Cl2N2O7S MolecularWeight: 517.37958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC(=O)COC(=O)C1=CC(=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCCC(CNC(=O)COC(=O)C1=CC(=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C21H22Cl2N2O7S/c1-3-4-14(16-7-6-15(22)10-17(16)23)11-24-20(26)12-32-21(27)13-5-8-19(33(2,30)31)18(9-13)25(28)29/h5-10,14H,3-4,11-12H2,1-2H3,(H,24,26)