2-[[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]sulfonylmethyl]oxane-4-carboxylic acid

Systemtic Name: 2-[[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]sulfonylmethyl]oxane-4-carboxylic acid Openeye Name: 2-[[4-[4-(3-pyridyl)phenyl]piperazin-1-yl]sulfonylmethyl]tetrahydropyran-4-carboxylic acid CAS Name: 2-[[4-[4-(3-pyridinyl)phenyl]-1-piperazinyl]sulfonylmethyl]-4-oxanecarboxylic acid IUPAC Name: 2-[[4-(4-pyridin-3-ylphenyl)piperazin-1-yl]sulfonylmethyl]oxane-4-carboxylic acid Traditional Name: 2-[[4-[4-(3-pyridyl)phenyl]piperazino]sulfonylmethyl]tetrahydropyran-4-carboxylic acid Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CC1C(=O)O)CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C4=CN=CC=C4

Isomeric SMILES

C1COC(CC1C(=O)O)CS(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C4=CN=CC=C4

InChI

InChI=1S/C22H27N3O5S/c26-22(27)18-7-13-30-21(14-18)16-31(28,29)25-11-9-24(10-12-25)20-5-3-17(4-6-20)19-2-1-8-23-15-19/h1-6,8,15,18,21H,7,9-14,16H2,(H,26,27)