ethyl 4-[4-[2-(2,4-dichlorophenyl)ethanoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-(2,4-dichlorophenyl)ethanoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-(2,4-dichlorophenyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(2,4-dichlorophenyl)acetyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H22Cl2N2O5S MolecularWeight: 485.38078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N2O5S/c1-2-30-21(27)15-4-7-18(8-5-15)31(28,29)25-11-9-24(10-12-25)20(26)13-16-3-6-17(22)14-19(16)23/h3-8,14H,2,9-13H2,1H3