methyl 4-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]methyl]benzoic acid methyl ester Formula: C17H19BrN2O4S2 MolecularWeight: 459.37776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O4S2/c1-24-17(21)14-4-2-13(3-5-14)12-19-8-10-20(11-9-19)26(22,23)16-7-6-15(18)25-16/h2-7H,8-12H2,1H3