ethyl 4-[4-(3-bromophenyl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(3-bromophenyl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(3-bromobenzoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(3-bromophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-bromobenzoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3-bromobenzoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C20H21BrN2O5S MolecularWeight: 481.36014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O5S/c1-2-28-20(25)15-6-8-18(9-7-15)29(26,27)23-12-10-22(11-13-23)19(24)16-4-3-5-17(21)14-16/h3-9,14H,2,10-13H2,1H3