ethyl 2-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[4-(4-bromanyl-2-chloranyl-phenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate Openeye Name: ethyl 2-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-(4-bromo-2-chlorophenyl)sulfonyl-1-piperazinyl]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-bromo-2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-(4-bromo-2-chloro-phenyl)sulfonylpiperazino]methyl]furan-3-carboxylic acid ethyl ester Formula: C18H20BrClN2O5S MolecularWeight: 491.7838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CN2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H20BrClN2O5S/c1-2-26-18(23)14-5-10-27-16(14)12-21-6-8-22(9-7-21)28(24,25)17-4-3-13(19)11-15(17)20/h3-5,10-11H,2,6-9,12H2,1H3