ethyl 4-[4-[2-(3,4-dichlorophenyl)ethanoyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-(3,4-dichlorophenyl)ethanoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(3,4-dichlorophenyl)acetyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-(3,4-dichlorophenyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(3,4-dichlorophenyl)acetyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(3,4-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=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

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