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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1COCCC1(CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)Br)C(=O)O

InChI

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