ethyl 2-[4-(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonylpiperazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(5-bromanyl-6-chloranyl-pyridin-3-yl)sulfonylpiperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[(5-bromo-6-chloro-3-pyridyl)sulfonyl]piperazin-1-yl]acetate CAS Name: 2-[4-[(5-bromo-6-chloro-3-pyridinyl)sulfonyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(5-bromo-6-chloropyridin-3-yl)sulfonylpiperazin-1-yl]acetate Traditional Name: 2-[4-[(5-bromo-6-chloro-3-pyridyl)sulfonyl]piperazino]acetic acid ethyl ester Formula: C13H17BrClN3O4S MolecularWeight: 426.71378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC(=C(N=C2)Cl)Br

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC(=C(N=C2)Cl)Br

InChI

InChI=1S/C13H17BrClN3O4S/c1-2-22-12(19)9-17-3-5-18(6-4-17)23(20,21)10-7-11(14)13(15)16-8-10/h7-8H,2-6,9H2,1H3