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

Systemtic Name: ethyl 4-[4-[2-(4-bromophenyl)ethanoyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-(4-bromophenyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(4-bromophenyl)acetyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O5S/c1-2-29-21(26)17-5-9-19(10-6-17)30(27,28)24-13-11-23(12-14-24)20(25)15-16-3-7-18(22)8-4-16/h3-10H,2,11-15H2,1H3