ethyl 2-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate Openeye Name: ethyl 2-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]methyl]furan-3-carboxylic acid ethyl ester Formula: C16H19BrN2O5S2 MolecularWeight: 463.36646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H19BrN2O5S2/c1-2-23-16(20)12-5-10-24-13(12)11-18-6-8-19(9-7-18)26(21,22)15-4-3-14(17)25-15/h3-5,10H,2,6-9,11H2,1H3