2-[[4-(4-bromophenyl)piperazin-1-yl]sulfonylmethyl]oxane-4-carboxylic acid

Systemtic Name: 2-[[4-(4-bromophenyl)piperazin-1-yl]sulfonylmethyl]oxane-4-carboxylic acid Openeye Name: 2-[[4-(4-bromophenyl)piperazin-1-yl]sulfonylmethyl]tetrahydropyran-4-carboxylic acid CAS Name: 2-[[4-(4-bromophenyl)-1-piperazinyl]sulfonylmethyl]-4-oxanecarboxylic acid IUPAC Name: 2-[[4-(4-bromophenyl)piperazin-1-yl]sulfonylmethyl]oxane-4-carboxylic acid Traditional Name: 2-[[4-(4-bromophenyl)piperazino]sulfonylmethyl]tetrahydropyran-4-carboxylic acid Formula: C17H23BrN2O5S MolecularWeight: 447.34392

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CC1C(=O)O)CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1COC(CC1C(=O)O)CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H23BrN2O5S/c18-14-1-3-15(4-2-14)19-6-8-20(9-7-19)26(23,24)12-16-11-13(17(21)22)5-10-25-16/h1-4,13,16H,5-12H2,(H,21,22)